1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine

C26H36N2 — CID 22315752

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine
SMILESCC(N)CN(CCC1=CCCCC1)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36N2/c1-22(27)21-28(19-17-23-11-5-2-6-12-23)20-18-26(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h3-4,7-11,13-16,22,26H,2,5-6,12,17-21,27H2,1H3
InChIKeyVYEAHLZHVVOWLT-UHFFFAOYSA-N
MW376.59 g/mol
LogP5.75
Rot. Bonds10

About 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine

1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine (PubChem CID 22315752) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine
PubChem CID22315752
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine
SMILESCC(N)CN(CCC1=CCCCC1)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36N2/c1-22(27)21-28(19-17-23-11-5-2-6-12-23)20-18-26(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h3-4,7-11,13-16,22,26H,2,5-6,12,17-21,27H2,1H3
InChIKeyVYEAHLZHVVOWLT-UHFFFAOYSA-N
XLogP5.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
CID 173292845
3-[2-(cyclohexen-1-yl)ethyl-pentylamino]-2-methylpropanoic acid
CID 82328340
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
3-[2-(cyclohexen-1-yl)ethyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82330297
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
2-(cyclopenten-1-yl)-1-phenylethanamine
CID 131037986
1-(2-phenylbutyl)cycloheptene
CID 143290808
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide
CID 106175165
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116661191
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine (CID 22315752) is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine is CC(N)CN(CCC1=CCCCC1)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine?
The InChIKey is VYEAHLZHVVOWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-22(27)21-28(19-17-23-11-5-2-6-12-23)20-18-26(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h3-4,7-11,13-16,22,26H,2,5-6,12,17-21,27H2,1H3.
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine?
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine has a molecular weight of 376.59 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3,3-diphenylpropyl)propane-1,2-diamine is sourced from PubChem (CID 22315752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).