N,N-dibenzyl-3-methylheptan-3-amine

C22H31N — CID 164668379

IUPACN,N-dibenzyl-3-methylheptan-3-amine
SMILESCCCCC(C)(CC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H31N/c1-4-6-17-22(3,5-2)23(18-20-13-9-7-10-14-20)19-21-15-11-8-12-16-21/h7-16H,4-6,17-19H2,1-3H3
InChIKeyGQVOOQGLRGZTTF-UHFFFAOYSA-N
MW309.50 g/mol
LogP6.05
Rot. Bonds9

About N,N-dibenzyl-3-methylheptan-3-amine

N,N-dibenzyl-3-methylheptan-3-amine (PubChem CID 164668379) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is N,N-dibenzyl-3-methylheptan-3-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-methylheptan-3-amine
PubChem CID164668379
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC NameN,N-dibenzyl-3-methylheptan-3-amine
SMILESCCCCC(C)(CC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H31N/c1-4-6-17-22(3,5-2)23(18-20-13-9-7-10-14-20)19-21-15-11-8-12-16-21/h7-16H,4-6,17-19H2,1-3H3
InChIKeyGQVOOQGLRGZTTF-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
CID 164668380
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N-methyl-N-(3-methylhexan-3-yl)aniline
CID 146408930
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
2-methylhexan-2-yloxymethylbenzene
CID 134222440
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352
3-methyl-1-phenylheptan-3-amine
CID 121493813
2,2-dimethylpentylbenzene
CID 15727699
N-benzyl-N-pentadecan-2-ylpentadecan-2-amine
CID 90045050
(2-benzyl-1-phenylhexan-2-yl)phosphane
CID 118892765

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-methylheptan-3-amine?
The IUPAC name of N,N-dibenzyl-3-methylheptan-3-amine (CID 164668379) is N,N-dibenzyl-3-methylheptan-3-amine.
What is the SMILES notation for N,N-dibenzyl-3-methylheptan-3-amine?
The canonical SMILES for N,N-dibenzyl-3-methylheptan-3-amine is CCCCC(C)(CC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-methylheptan-3-amine?
The InChIKey is GQVOOQGLRGZTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-4-6-17-22(3,5-2)23(18-20-13-9-7-10-14-20)19-21-15-11-8-12-16-21/h7-16H,4-6,17-19H2,1-3H3.
What are the key properties of N,N-dibenzyl-3-methylheptan-3-amine?
N,N-dibenzyl-3-methylheptan-3-amine has a molecular weight of 309.50 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-methylheptan-3-amine is sourced from PubChem (CID 164668379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).