2-N-benzylhexane-1,2-diamine

C13H22N2 — CID 65385282

IUPAC2-N-benzylhexane-1,2-diamine
SMILESCCCCC(CN)NCc1ccccc1
InChIInChI=1S/C13H22N2/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h4-8,13,15H,2-3,9-11,14H2,1H3
InChIKeyVLWVBDOGUMDHFG-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds7

About 2-N-benzylhexane-1,2-diamine

2-N-benzylhexane-1,2-diamine (PubChem CID 65385282) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-N-benzylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzylhexane-1,2-diamine
PubChem CID65385282
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-N-benzylhexane-1,2-diamine
SMILESCCCCC(CN)NCc1ccccc1
InChIInChI=1S/C13H22N2/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h4-8,13,15H,2-3,9-11,14H2,1H3
InChIKeyVLWVBDOGUMDHFG-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyltridecan-6-amine
CID 166644944
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
2-N-benzyl-3-methylhexane-1,2-diamine
CID 65382953
(2R)-N-benzylheptan-2-amine
CID 14923313
N-benzyl-1-(4-tert-butylphenyl)sulfanylhexan-2-amine
CID 10498434
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
N-[(4-butoxyphenyl)methyl]-1,3-diphenylpropan-2-amine
CID 97301836
[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 80698399
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
N-(2-phenylethyl)octan-4-amine
CID 11128217
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303

Frequently Asked Questions

What is the IUPAC name of 2-N-benzylhexane-1,2-diamine?
The IUPAC name of 2-N-benzylhexane-1,2-diamine (CID 65385282) is 2-N-benzylhexane-1,2-diamine.
What is the SMILES notation for 2-N-benzylhexane-1,2-diamine?
The canonical SMILES for 2-N-benzylhexane-1,2-diamine is CCCCC(CN)NCc1ccccc1.
What is the InChIKey of 2-N-benzylhexane-1,2-diamine?
The InChIKey is VLWVBDOGUMDHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h4-8,13,15H,2-3,9-11,14H2,1H3.
What are the key properties of 2-N-benzylhexane-1,2-diamine?
2-N-benzylhexane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzylhexane-1,2-diamine is sourced from PubChem (CID 65385282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).