acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine

C70H142N4 — CID 143361643

IUPACacetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine
SMILESC.C#C.C/C=C\CC1=C(CC)CCCCC1.C=C.C=C(C)C.C=C(NC(CN(C)C)C(C)(C)C)NC(C(=C)C)C(C)(C)C.C=CC(=C)C(CC(C)C)NC(=C)C(C)CC(C)CC.C=CCC.CC.CC.CC.CC
InChIInChI=1S/C18H37N3.C18H33N.C13H22.2C4H8.4C2H6.C2H4.C2H2.CH4/c1-13(2)16(18(7,8)9)20-14(3)19-15(12-21(10)11)17(4,5)6;1-9-14(5)12-16(7)17(8)19-18(11-13(3)4)15(6)10-2;1-3-5-9-13-11-8-6-7-10-12(13)4-2;1-4(2)3;1-3-4-2;6*1-2;/h15-16,19-20H,1,3,12H2,2,4-11H3;10,13-14,16,18-19H,2,6,8-9,11-12H2,1,3-5,7H3;3,5H,4,6-11H2,1-2H3;1H2,2-3H3;3H,1,4H2,2H3;4*1-2H3;1-2H2;1-2H;1H4/b;;5-3-;;;;;;;;;
InChIKeyUXZIGYAQGJHDEN-JDZWWJPSSA-N
MW1039.93 g/mol
LogP22.50
Rot. Bonds21

About acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine

acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine (PubChem CID 143361643) has the molecular formula C70H142N4 and a molecular weight of 1039.93 g/mol. Its IUPAC name is acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine.

Molecular Properties

Compound Nameacetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine
PubChem CID143361643
Molecular FormulaC70H142N4
Molecular Weight1039.93 g/mol
Exact Mass1039.12
IUPAC Nameacetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine
SMILESC.C#C.C/C=C\CC1=C(CC)CCCCC1.C=C.C=C(C)C.C=C(NC(CN(C)C)C(C)(C)C)NC(C(=C)C)C(C)(C)C.C=CC(=C)C(CC(C)C)NC(=C)C(C)CC(C)CC.C=CCC.CC.CC.CC.CC
InChIInChI=1S/C18H37N3.C18H33N.C13H22.2C4H8.4C2H6.C2H4.C2H2.CH4/c1-13(2)16(18(7,8)9)20-14(3)19-15(12-21(10)11)17(4,5)6;1-9-14(5)12-16(7)17(8)19-18(11-13(3)4)15(6)10-2;1-3-5-9-13-11-8-6-7-10-12(13)4-2;1-4(2)3;1-3-4-2;6*1-2;/h15-16,19-20H,1,3,12H2,2,4-11H3;10,13-14,16,18-19H,2,6,8-9,11-12H2,1,3-5,7H3;3,5H,4,6-11H2,1-2H3;1H2,2-3H3;3H,1,4H2,2H3;4*1-2H3;1-2H2;1-2H;1H4/b;;5-3-;;;;;;;;;
InChIKeyUXZIGYAQGJHDEN-JDZWWJPSSA-N
XLogP22.50
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.93
LogP ≤ 522.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine?
The IUPAC name of acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine (CID 143361643) is acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine.
What is the SMILES notation for acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine?
The canonical SMILES for acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine is C.C#C.C/C=C\CC1=C(CC)CCCCC1.C=C.C=C(C)C.C=C(NC(CN(C)C)C(C)(C)C)NC(C(=C)C)C(C)(C)C.C=CC(=C)C(CC(C)C)NC(=C)C(C)CC(C)CC.C=CCC.CC.CC.CC.CC.
What is the InChIKey of acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine?
The InChIKey is UXZIGYAQGJHDEN-JDZWWJPSSA-N. The full InChI is InChI=1S/C18H37N3.C18H33N.C13H22.2C4H8.4C2H6.C2H4.C2H2.CH4/c1-13(2)16(18(7,8)9)20-14(3)19-15(12-21(10)11)17(4,5)6;1-9-14(5)12-16(7)17(8)19-18(11-13(3)4)15(6)10-2;1-3-5-9-13-11-8-6-7-10-12(13)4-2;1-4(2)3;1-3-4-2;6*1-2;/h15-16,19-20H,1,3,12H2,2,4-11H3;10,13-14,16,18-19H,2,6,8-9,11-12H2,1,3-5,7H3;3,5H,4,6-11H2,1-2H3;1H2,2-3H3;3H,1,4H2,2H3;4*1-2H3;1-2H2;1-2H;1H4/b;;5-3-;;;;;;;;;.
What are the key properties of acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine?
acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine has a molecular weight of 1039.93 g/mol, XLogP of 22.50, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;but-1-ene;1-[(Z)-but-2-enyl]-2-ethylcycloheptene;3,5-dimethyl-N-(6-methyl-3-methylidenehept-1-en-4-yl)hept-1-en-2-amine;ethane;ethene;methane;2-methylprop-1-ene;1-N,1-N,3,3-tetramethyl-2-N-[1-(2,4,4-trimethylpent-1-en-3-ylamino)ethenyl]butane-1,2-diamine is sourced from PubChem (CID 143361643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).