1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene

C58H117N3 — CID 143358977

IUPAC1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene
SMILESC=C(C)C.C=C(C)C(=C)C(C)CCC.C=C(C)C1CC(CC(C)(C)C)CN1C.C=CC(NC(=C)NC(CC)C(C)(C)C)C1CCCCC1.C=CCCC.CC.CC.CC(C)C
InChIInChI=1S/C18H34N2.C13H25N.C10H18.C5H10.C4H10.C4H8.2C2H6/c1-7-16(15-12-10-9-11-13-15)19-14(3)20-17(8-2)18(4,5)6;1-10(2)12-7-11(9-14(12)6)8-13(3,4)5;1-6-7-9(4)10(5)8(2)3;1-3-5-4-2;2*1-4(2)3;2*1-2/h7,15-17,19-20H,1,3,8-13H2,2,4-6H3;11-12H,1,7-9H2,2-6H3;9H,2,5-7H2,1,3-4H3;3H,1,4-5H2,2H3;4H,1-3H3;1H2,2-3H3;2*1-2H3
InChIKeyAYHPGOSRFXGBHS-UHFFFAOYSA-N
MW856.59 g/mol
LogP18.74
Rot. Bonds15

About 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene

1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene (PubChem CID 143358977) has the molecular formula C58H117N3 and a molecular weight of 856.59 g/mol. Its IUPAC name is 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene.

Molecular Properties

Compound Name1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene
PubChem CID143358977
Molecular FormulaC58H117N3
Molecular Weight856.59 g/mol
Exact Mass855.92
IUPAC Name1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene
SMILESC=C(C)C.C=C(C)C(=C)C(C)CCC.C=C(C)C1CC(CC(C)(C)C)CN1C.C=CC(NC(=C)NC(CC)C(C)(C)C)C1CCCCC1.C=CCCC.CC.CC.CC(C)C
InChIInChI=1S/C18H34N2.C13H25N.C10H18.C5H10.C4H10.C4H8.2C2H6/c1-7-16(15-12-10-9-11-13-15)19-14(3)20-17(8-2)18(4,5)6;1-10(2)12-7-11(9-14(12)6)8-13(3,4)5;1-6-7-9(4)10(5)8(2)3;1-3-5-4-2;2*1-4(2)3;2*1-2/h7,15-17,19-20H,1,3,8-13H2,2,4-6H3;11-12H,1,7-9H2,2-6H3;9H,2,5-7H2,1,3-4H3;3H,1,4-5H2,2H3;4H,1-3H3;1H2,2-3H3;2*1-2H3
InChIKeyAYHPGOSRFXGBHS-UHFFFAOYSA-N
XLogP18.74
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.59
LogP ≤ 518.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene?
The IUPAC name of 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene (CID 143358977) is 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene.
What is the SMILES notation for 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene?
The canonical SMILES for 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene is C=C(C)C.C=C(C)C(=C)C(C)CCC.C=C(C)C1CC(CC(C)(C)C)CN1C.C=CC(NC(=C)NC(CC)C(C)(C)C)C1CCCCC1.C=CCCC.CC.CC.CC(C)C.
What is the InChIKey of 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene?
The InChIKey is AYHPGOSRFXGBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2.C13H25N.C10H18.C5H10.C4H10.C4H8.2C2H6/c1-7-16(15-12-10-9-11-13-15)19-14(3)20-17(8-2)18(4,5)6;1-10(2)12-7-11(9-14(12)6)8-13(3,4)5;1-6-7-9(4)10(5)8(2)3;1-3-5-4-2;2*1-4(2)3;2*1-2/h7,15-17,19-20H,1,3,8-13H2,2,4-6H3;11-12H,1,7-9H2,2-6H3;9H,2,5-7H2,1,3-4H3;3H,1,4-5H2,2H3;4H,1-3H3;1H2,2-3H3;2*1-2H3.
What are the key properties of 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene?
1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene has a molecular weight of 856.59 g/mol, XLogP of 18.74, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-cyclohexylprop-2-enyl)-1-N-(2,2-dimethylpentan-3-yl)ethene-1,1-diamine;2,4-dimethyl-3-methylidenehept-1-ene;4-(2,2-dimethylpropyl)-1-methyl-2-prop-1-en-2-ylpyrrolidine;ethane;2-methylpropane;2-methylprop-1-ene;pent-1-ene is sourced from PubChem (CID 143358977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).