1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine

C15H26N2 — CID 60852613

IUPAC1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(CC)Cc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-11-15(3,16)13-17(5-2)12-14-9-7-6-8-10-14/h6-10H,4-5,11-13,16H2,1-3H3
InChIKeyHNGOIGVRKZGGDE-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.03
Rot. Bonds7

About 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine

1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine (PubChem CID 60852613) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
PubChem CID60852613
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(CC)Cc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-11-15(3,16)13-17(5-2)12-14-9-7-6-8-10-14/h6-10H,4-5,11-13,16H2,1-3H3
InChIKeyHNGOIGVRKZGGDE-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 131049038
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664
N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
CID 122491448
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-amino-N-benzyl-N-ethyl-2-methylpentanamide
CID 60846660
N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65295960

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine?
The IUPAC name of 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine (CID 60852613) is 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine is CCCC(C)(N)CN(CC)Cc1ccccc1.
What is the InChIKey of 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine?
The InChIKey is HNGOIGVRKZGGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-11-15(3,16)13-17(5-2)12-14-9-7-6-8-10-14/h6-10H,4-5,11-13,16H2,1-3H3.
What are the key properties of 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine?
1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine is sourced from PubChem (CID 60852613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).