N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine

C32H46N2 — CID 57036974

IUPACN',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
SMILESC(=CCN(CC1CCCCC1)CC1CCCCC1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H46N2/c1-5-15-29(16-6-1)25-33(26-30-17-7-2-8-18-30)23-13-14-24-34(27-31-19-9-3-10-20-31)28-32-21-11-4-12-22-32/h1-2,5-8,13-18,31-32H,3-4,9-12,19-28H2
InChIKeyDBTSZGLEQCVRGW-UHFFFAOYSA-N
MW458.73 g/mol
LogP7.71
Rot. Bonds12

About N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine

N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine (PubChem CID 57036974) has the molecular formula C32H46N2 and a molecular weight of 458.73 g/mol. Its IUPAC name is N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
PubChem CID57036974
Molecular FormulaC32H46N2
Molecular Weight458.73 g/mol
Exact Mass458.37
IUPAC NameN',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
SMILESC(=CCN(CC1CCCCC1)CC1CCCCC1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H46N2/c1-5-15-29(16-6-1)25-33(26-30-17-7-2-8-18-30)23-13-14-24-34(27-31-19-9-3-10-20-31)28-32-21-11-4-12-22-32/h1-2,5-8,13-18,31-32H,3-4,9-12,19-28H2
InChIKeyDBTSZGLEQCVRGW-UHFFFAOYSA-N
XLogP7.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
1-N,1-N-dibenzyl-4-N,4-N-dicyclohexylpent-2-ene-1,4-diamine
CID 67748790
N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine
CID 123661547
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
3-[(dibenzylamino)methyl]cyclohexan-1-amine
CID 18447128
N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 119930432
(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol
CID 70981620
N'-benzyl-N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585113
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine
CID 162487705
N,N'-dibenzyl-N,N'-bis(naphthalen-1-ylmethyl)but-2-ene-1,4-diamine
CID 72747626
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine?
The IUPAC name of N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine (CID 57036974) is N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine?
The canonical SMILES for N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine is C(=CCN(CC1CCCCC1)CC1CCCCC1)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine?
The InChIKey is DBTSZGLEQCVRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2/c1-5-15-29(16-6-1)25-33(26-30-17-7-2-8-18-30)23-13-14-24-34(27-31-19-9-3-10-20-31)28-32-21-11-4-12-22-32/h1-2,5-8,13-18,31-32H,3-4,9-12,19-28H2.
What are the key properties of N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine?
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine has a molecular weight of 458.73 g/mol, XLogP of 7.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 57036974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).