1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane

C22H38N2 — CID 143358262

IUPAC1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane
SMILESC=C(NC1=C(C)CCC=CC1)NC(C(=C)C)C1CCCCC1.CC
InChIInChI=1S/C20H32N2.C2H6/c1-15(2)20(18-12-8-6-9-13-18)22-17(4)21-19-14-10-5-7-11-16(19)3;1-2/h5,10,18,20-22H,1,4,6-9,11-14H2,2-3H3;1-2H3
InChIKeyZTPUZQNPGINBML-UHFFFAOYSA-N
MW330.56 g/mol
LogP6.20
Rot. Bonds6

About 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane

1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane (PubChem CID 143358262) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane.

Molecular Properties

Compound Name1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane
PubChem CID143358262
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane
SMILESC=C(NC1=C(C)CCC=CC1)NC(C(=C)C)C1CCCCC1.CC
InChIInChI=1S/C20H32N2.C2H6/c1-15(2)20(18-12-8-6-9-13-18)22-17(4)21-19-14-10-5-7-11-16(19)3;1-2/h5,10,18,20-22H,1,4,6-9,11-14H2,2-3H3;1-2H3
InChIKeyZTPUZQNPGINBML-UHFFFAOYSA-N
XLogP6.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 118311917
N-[(1E,3R)-2-butyl-3-methyl-1-[(6S)-4-propan-2-yl-3-bicyclo[4.1.0]hepta-1(7),2,4-trienyl]hepta-1,6-dienyl]-1,2-dihydropyridin-2-amine
CID 129208629
(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine
CID 129269611
(3Z)-N-[2-ethyl-1-[2-methyl-4-(4-methylcyclohepta-1,3,5,6-tetraen-1-yl)cyclohexa-1,3-dien-1-yl]but-3-enyl]-4-methylhexa-1,3-dien-2-amine
CID 132002553
7-(3-Cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine
CID 137382437
4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole
CID 142833286
ethane;2-methylcyclohepta-1,3-diene;(3E)-3-methyl-N-[1-(4-methylcyclohexyl)ethyl]penta-1,3-dien-2-amine
CID 143092698
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
(E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine
CID 143959373
4-cyclohexyl-1-N-ethyl-1-N'-[(3E,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-4-yl]cyclohexane-1,1-diamine
CID 145591804

Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane?
The IUPAC name of 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane (CID 143358262) is 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane.
What is the SMILES notation for 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane?
The canonical SMILES for 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane is C=C(NC1=C(C)CCC=CC1)NC(C(=C)C)C1CCCCC1.CC.
What is the InChIKey of 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane?
The InChIKey is ZTPUZQNPGINBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2.C2H6/c1-15(2)20(18-12-8-6-9-13-18)22-17(4)21-19-14-10-5-7-11-16(19)3;1-2/h5,10,18,20-22H,1,4,6-9,11-14H2,2-3H3;1-2H3.
What are the key properties of 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane?
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane has a molecular weight of 330.56 g/mol, XLogP of 6.20, 6 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-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane is sourced from PubChem (CID 143358262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).