N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine

C25H33N3 — CID 174802109

IUPACN,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
SMILESCC(C)(N)CN.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21N.C4H12N2/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-4(2,6)3-5/h1-15H,16-18H2;3,5-6H2,1-2H3
InChIKeyHVRCBBNILREPEM-UHFFFAOYSA-N
MW375.56 g/mol
LogP4.57
Rot. Bonds7

About N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine

N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine (PubChem CID 174802109) has the molecular formula C25H33N3 and a molecular weight of 375.56 g/mol. Its IUPAC name is N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
PubChem CID174802109
Molecular FormulaC25H33N3
Molecular Weight375.56 g/mol
Exact Mass375.27
IUPAC NameN,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
SMILESCC(C)(N)CN.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21N.C4H12N2/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-4(2,6)3-5/h1-15H,16-18H2;3,5-6H2,1-2H3
InChIKeyHVRCBBNILREPEM-UHFFFAOYSA-N
XLogP4.57
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
CID 60852613
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718
1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine
CID 82171517
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine?
The IUPAC name of N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine (CID 174802109) is N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine.
What is the SMILES notation for N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine?
The canonical SMILES for N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine is CC(C)(N)CN.c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine?
The InChIKey is HVRCBBNILREPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N.C4H12N2/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-4(2,6)3-5/h1-15H,16-18H2;3,5-6H2,1-2H3.
What are the key properties of N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine?
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine has a molecular weight of 375.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine is sourced from PubChem (CID 174802109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).