1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride

C35H54ClN3 — CID 140655245

IUPAC1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride
SMILESCC(N=c1c(N(C2CCCCC2)C2CCCCC2)c1N(C1CCCCC1)C1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C35H53N3.ClH/c1-27(28-17-7-2-8-18-28)36-33-34(37(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(33)38(31-23-13-5-14-24-31)32-25-15-6-16-26-32;/h2,7-8,17-18,27,29-32H,3-6,9-16,19-26H2,1H3;1H
InChIKeyCXMKPNGCBAGANV-UHFFFAOYSA-N
MW552.29 g/mol
LogP9.59
Rot. Bonds8

About 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride

1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride (PubChem CID 140655245) has the molecular formula C35H54ClN3 and a molecular weight of 552.29 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride
PubChem CID140655245
Molecular FormulaC35H54ClN3
Molecular Weight552.29 g/mol
Exact Mass551.40
IUPAC Name1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride
SMILESCC(N=c1c(N(C2CCCCC2)C2CCCCC2)c1N(C1CCCCC1)C1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C35H53N3.ClH/c1-27(28-17-7-2-8-18-28)36-33-34(37(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(33)38(31-23-13-5-14-24-31)32-25-15-6-16-26-32;/h2,7-8,17-18,27,29-32H,3-6,9-16,19-26H2,1H3;1H
InChIKeyCXMKPNGCBAGANV-UHFFFAOYSA-N
XLogP9.59
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.29
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride with MolForge

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Related Compounds

trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine
CID 102093030
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
N,N-dibenzhydrylcyclohexanamine
CID 139723956
2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine
CID 10708145
cyclohexylmethyl N'-[(1S)-1-phenylethyl]carbamimidothioate
CID 8775712
4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine
CID 14609244
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine
CID 10493884
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride?
The IUPAC name of 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride (CID 140655245) is 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride is CC(N=c1c(N(C2CCCCC2)C2CCCCC2)c1N(C1CCCCC1)C1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride?
The InChIKey is CXMKPNGCBAGANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N3.ClH/c1-27(28-17-7-2-8-18-28)36-33-34(37(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(33)38(31-23-13-5-14-24-31)32-25-15-6-16-26-32;/h2,7-8,17-18,27,29-32H,3-6,9-16,19-26H2,1H3;1H.
What are the key properties of 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride?
1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride has a molecular weight of 552.29 g/mol, XLogP of 9.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride is sourced from PubChem (CID 140655245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).