1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine

C31H44N2 — CID 67748790

IUPAC1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine
SMILESCC(C=CCN(Cc1ccccc1)Cc1ccccc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H44N2/c1-27(33(30-20-10-4-11-21-30)31-22-12-5-13-23-31)15-14-24-32(25-28-16-6-2-7-17-28)26-29-18-8-3-9-19-29/h2-3,6-9,14-19,27,30-31H,4-5,10-13,20-26H2,1H3
InChIKeyPWXLOAAEKBVNSI-UHFFFAOYSA-N
MW444.71 g/mol
LogP7.60
Rot. Bonds10

About 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine

1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine (PubChem CID 67748790) has the molecular formula C31H44N2 and a molecular weight of 444.71 g/mol. Its IUPAC name is 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine
PubChem CID67748790
Molecular FormulaC31H44N2
Molecular Weight444.71 g/mol
Exact Mass444.35
IUPAC Name1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine
SMILESCC(C=CCN(Cc1ccccc1)Cc1ccccc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H44N2/c1-27(33(30-20-10-4-11-21-30)31-22-12-5-13-23-31)15-14-24-32(25-28-16-6-2-7-17-28)26-29-18-8-3-9-19-29/h2-3,6-9,14-19,27,30-31H,4-5,10-13,20-26H2,1H3
InChIKeyPWXLOAAEKBVNSI-UHFFFAOYSA-N
XLogP7.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine with MolForge

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Related Compounds

N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
N-benzyl-N-bromocyclohexanamine
CID 140997611
N-benzyl-N-(trifluoromethyl)cyclohexanamine
CID 175316581
1-benzyl-1-cyclohexylhydrazine;hydrochloride
CID 3028713
N,N-dibenzylcyclobutanamine
CID 70822586
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
1-benzyl-1-cyclohexyl-2,3-di(propan-2-yl)guanidine
CID 175454071
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
(2S)-2-[cyclohexyl(trityl)amino]propanal
CID 54004777

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine?
The IUPAC name of 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine (CID 67748790) is 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine?
The canonical SMILES for 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine is CC(C=CCN(Cc1ccccc1)Cc1ccccc1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine?
The InChIKey is PWXLOAAEKBVNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2/c1-27(33(30-20-10-4-11-21-30)31-22-12-5-13-23-31)15-14-24-32(25-28-16-6-2-7-17-28)26-29-18-8-3-9-19-29/h2-3,6-9,14-19,27,30-31H,4-5,10-13,20-26H2,1H3.
What are the key properties of 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine?
1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine has a molecular weight of 444.71 g/mol, XLogP of 7.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine is sourced from PubChem (CID 67748790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).