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

C20H32N2 — CID 143358263

IUPAC1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine
SMILESC=C(NC1=C(C)CCC=CC1)NC(C(=C)C)C1CCCCC1
InChIInChI=1S/C20H32N2/c1-15(2)20(18-12-8-6-9-13-18)22-17(4)21-19-14-10-5-7-11-16(19)3/h5,10,18,20-22H,1,4,6-9,11-14H2,2-3H3
InChIKeyCZGBVUPPVVTQEO-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.18
Rot. Bonds6

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

1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine (PubChem CID 143358263) has the molecular formula C20H32N2 and a molecular weight of 300.49 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.

Molecular Properties

Compound Name1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine
PubChem CID143358263
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine
SMILESC=C(NC1=C(C)CCC=CC1)NC(C(=C)C)C1CCCCC1
InChIInChI=1S/C20H32N2/c1-15(2)20(18-12-8-6-9-13-18)22-17(4)21-19-14-10-5-7-11-16(19)3/h5,10,18,20-22H,1,4,6-9,11-14H2,2-3H3
InChIKeyCZGBVUPPVVTQEO-UHFFFAOYSA-N
XLogP5.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.18
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

1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine
CID 154665788
4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine
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(9aS)-2-(5-methylcyclohex-2-en-1-yl)-2,3,4,5,7,8,9,9a-octahydro-1H-1,3-benzodiazepine
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
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane
CID 143358262
(E)-N-heptan-3-yl-2,3-dimethyl-1-(2-methylidene-1-pyridinyl)pent-1-en-1-amine
CID 143959373

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?
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 (CID 143358263) is 1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine.
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?
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 is C=C(NC1=C(C)CCC=CC1)NC(C(=C)C)C1CCCCC1.
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?
The InChIKey is CZGBVUPPVVTQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-15(2)20(18-12-8-6-9-13-18)22-17(4)21-19-14-10-5-7-11-16(19)3/h5,10,18,20-22H,1,4,6-9,11-14H2,2-3H3.
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?
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine has a molecular weight of 300.49 g/mol, XLogP of 5.18, 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 is sourced from PubChem (CID 143358263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).