2-aminohexyl N-benzylcarbamate

C14H22N2O2 — CID 142770372

IUPAC2-aminohexyl N-benzylcarbamate
SMILESCCCCC(N)COC(=O)NCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-3-9-13(15)11-18-14(17)16-10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17)
InChIKeyKZIZQQFURSYKCR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.43
Rot. Bonds7

About 2-aminohexyl N-benzylcarbamate

2-aminohexyl N-benzylcarbamate (PubChem CID 142770372) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-aminohexyl N-benzylcarbamate.

Molecular Properties

Compound Name2-aminohexyl N-benzylcarbamate
PubChem CID142770372
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-aminohexyl N-benzylcarbamate
SMILESCCCCC(N)COC(=O)NCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-3-9-13(15)11-18-14(17)16-10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17)
InChIKeyKZIZQQFURSYKCR-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpentyl N-benzylcarbamate
CID 58269941
benzene;ethyl N-benzylcarbamate
CID 67715166
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
3-hydroxybutyl N-benzylcarbamate
CID 142744474
2-aminodecyl benzoate
CID 141308993
[(2S)-1-amino-1-oxopentan-2-yl] N-benzylcarbamate
CID 175581620
2-amino-N-benzylpentanamide
CID 11020044
[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2-methylpropyl] N-benzylcarbamate
CID 121431629
1-(3-amino-4-methoxybutyl)-3-benzylurea
CID 106243722
(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate
CID 132559738
N-benzylundecanamide
CID 5078198
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
CID 140687105

Frequently Asked Questions

What is the IUPAC name of 2-aminohexyl N-benzylcarbamate?
The IUPAC name of 2-aminohexyl N-benzylcarbamate (CID 142770372) is 2-aminohexyl N-benzylcarbamate.
What is the SMILES notation for 2-aminohexyl N-benzylcarbamate?
The canonical SMILES for 2-aminohexyl N-benzylcarbamate is CCCCC(N)COC(=O)NCc1ccccc1.
What is the InChIKey of 2-aminohexyl N-benzylcarbamate?
The InChIKey is KZIZQQFURSYKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-9-13(15)11-18-14(17)16-10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17).
What are the key properties of 2-aminohexyl N-benzylcarbamate?
2-aminohexyl N-benzylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohexyl N-benzylcarbamate is sourced from PubChem (CID 142770372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).