1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane

C50H108N2 — CID 143357239

IUPAC1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane
SMILESC=C.C=C.C=C(C)C(=C)CCC.C=C(NCC(C)(C)C)NC(C(=C)C)C1CCCCC1.CC.CC.CC.CC(C)C.CCC.CCCCC(C)CC
InChIInChI=1S/C17H32N2.C8H14.C8H18.C4H10.C3H8.3C2H6.2C2H4/c1-13(2)16(15-10-8-7-9-11-15)19-14(3)18-12-17(4,5)6;1-5-6-8(4)7(2)3;1-4-6-7-8(3)5-2;1-4(2)3;1-3-2;5*1-2/h15-16,18-19H,1,3,7-12H2,2,4-6H3;2,4-6H2,1,3H3;8H,4-7H2,1-3H3;4H,1-3H3;3H2,1-2H3;3*1-2H3;2*1-2H2
InChIKeyNVCUNUIFRGXRJH-UHFFFAOYSA-N
MW737.43 g/mol
LogP18.11
Rot. Bonds13

About 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane

1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane (PubChem CID 143357239) has the molecular formula C50H108N2 and a molecular weight of 737.43 g/mol. Its IUPAC name is 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane.

Molecular Properties

Compound Name1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane
PubChem CID143357239
Molecular FormulaC50H108N2
Molecular Weight737.43 g/mol
Exact Mass736.85
IUPAC Name1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane
SMILESC=C.C=C.C=C(C)C(=C)CCC.C=C(NCC(C)(C)C)NC(C(=C)C)C1CCCCC1.CC.CC.CC.CC(C)C.CCC.CCCCC(C)CC
InChIInChI=1S/C17H32N2.C8H14.C8H18.C4H10.C3H8.3C2H6.2C2H4/c1-13(2)16(15-10-8-7-9-11-15)19-14(3)18-12-17(4,5)6;1-5-6-8(4)7(2)3;1-4-6-7-8(3)5-2;1-4(2)3;1-3-2;5*1-2/h15-16,18-19H,1,3,7-12H2,2,4-6H3;2,4-6H2,1,3H3;8H,4-7H2,1-3H3;4H,1-3H3;3H2,1-2H3;3*1-2H3;2*1-2H2
InChIKeyNVCUNUIFRGXRJH-UHFFFAOYSA-N
XLogP18.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.43
LogP ≤ 518.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane?
The IUPAC name of 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane (CID 143357239) is 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane.
What is the SMILES notation for 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane?
The canonical SMILES for 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane is C=C.C=C.C=C(C)C(=C)CCC.C=C(NCC(C)(C)C)NC(C(=C)C)C1CCCCC1.CC.CC.CC.CC(C)C.CCC.CCCCC(C)CC.
What is the InChIKey of 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane?
The InChIKey is NVCUNUIFRGXRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2.C8H14.C8H18.C4H10.C3H8.3C2H6.2C2H4/c1-13(2)16(15-10-8-7-9-11-15)19-14(3)18-12-17(4,5)6;1-5-6-8(4)7(2)3;1-4-6-7-8(3)5-2;1-4(2)3;1-3-2;5*1-2/h15-16,18-19H,1,3,7-12H2,2,4-6H3;2,4-6H2,1,3H3;8H,4-7H2,1-3H3;4H,1-3H3;3H2,1-2H3;3*1-2H3;2*1-2H2.
What are the key properties of 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane?
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane has a molecular weight of 737.43 g/mol, XLogP of 18.11, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2,2-dimethylpropyl)ethene-1,1-diamine;ethane;ethene;3-methylheptane;2-methyl-3-methylidenehex-1-ene;2-methylpropane;propane is sourced from PubChem (CID 143357239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).