2-N-benzyl-3-methylhexane-1,2-diamine

C14H24N2 — CID 65382953

IUPAC2-N-benzyl-3-methylhexane-1,2-diamine
SMILESCCCC(C)C(CN)NCc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-7-12(2)14(10-15)16-11-13-8-5-4-6-9-13/h4-6,8-9,12,14,16H,3,7,10-11,15H2,1-2H3
InChIKeyPNCAXQYBGWFUJI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.54
Rot. Bonds7

About 2-N-benzyl-3-methylhexane-1,2-diamine

2-N-benzyl-3-methylhexane-1,2-diamine (PubChem CID 65382953) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N-benzyl-3-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-methylhexane-1,2-diamine
PubChem CID65382953
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N-benzyl-3-methylhexane-1,2-diamine
SMILESCCCC(C)C(CN)NCc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-7-12(2)14(10-15)16-11-13-8-5-4-6-9-13/h4-6,8-9,12,14,16H,3,7,10-11,15H2,1-2H3
InChIKeyPNCAXQYBGWFUJI-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-benzylhexane-1,2-diamine
CID 65385282
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
(2R)-N-benzylheptan-2-amine
CID 14923313
2-(benzylamino)-4-methylheptan-1-ol
CID 166670635
(2S,3S)-2-N,2-N,3-N-tribenzylheptane-2,3-diamine
CID 14791984
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
3-methyl-2-N-propan-2-ylhexane-1,2-diamine
CID 62071023
N-benzyl-1-silylethanamine
CID 173405128
N-benzyl-5-methylhexan-2-amine
CID 43177530

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-methylhexane-1,2-diamine?
The IUPAC name of 2-N-benzyl-3-methylhexane-1,2-diamine (CID 65382953) is 2-N-benzyl-3-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-3-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-3-methylhexane-1,2-diamine is CCCC(C)C(CN)NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-3-methylhexane-1,2-diamine?
The InChIKey is PNCAXQYBGWFUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-7-12(2)14(10-15)16-11-13-8-5-4-6-9-13/h4-6,8-9,12,14,16H,3,7,10-11,15H2,1-2H3.
What are the key properties of 2-N-benzyl-3-methylhexane-1,2-diamine?
2-N-benzyl-3-methylhexane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-methylhexane-1,2-diamine is sourced from PubChem (CID 65382953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).