1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine

C20H28N2 — CID 130887110

IUPAC1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H28N2/c1-17(2)20(21-14-18-10-6-4-7-11-18)16-22(3)15-19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3
InChIKeyBCQZJSNMSVZEMK-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.93
Rot. Bonds8

About 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine

1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine (PubChem CID 130887110) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
PubChem CID130887110
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H28N2/c1-17(2)20(21-14-18-10-6-4-7-11-18)16-22(3)15-19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3
InChIKeyBCQZJSNMSVZEMK-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
CID 133479946
N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 130847733
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
1-N-benzyl-2-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 130563731
N-benzyl-1-silylethanamine
CID 173405128
1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657
(2S,3S)-2-N,2-N,3-N-tribenzylheptane-2,3-diamine
CID 14791984
N-benzyl-5-methylhexan-2-amine
CID 43177530
1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 86882554
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine (CID 130887110) is 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine is CC(C)C(CN(C)Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine?
The InChIKey is BCQZJSNMSVZEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-17(2)20(21-14-18-10-6-4-7-11-18)16-22(3)15-19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3.
What are the key properties of 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine?
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 130887110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).