benzyl N-[6-(methylamino)hexyl]carbamate

C15H24N2O2 — CID 14423361

IUPACbenzyl N-[6-(methylamino)hexyl]carbamate
SMILESCNCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-16-11-7-2-3-8-12-17-15(18)19-13-14-9-5-4-6-10-14/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,17,18)
InChIKeyNBQLPCSVDWPHAR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.69
Rot. Bonds9

About benzyl N-[6-(methylamino)hexyl]carbamate

benzyl N-[6-(methylamino)hexyl]carbamate (PubChem CID 14423361) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is benzyl N-[6-(methylamino)hexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-(methylamino)hexyl]carbamate
PubChem CID14423361
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namebenzyl N-[6-(methylamino)hexyl]carbamate
SMILESCNCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-16-11-7-2-3-8-12-17-15(18)19-13-14-9-5-4-6-10-14/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,17,18)
InChIKeyNBQLPCSVDWPHAR-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-(6-methylheptyl)carbamate
CID 59918495
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-(5-aminooxypentyl)carbamate;hydrochloride
CID 165436022
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid
CID 22149896
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-(methylamino)hexyl]carbamate?
The IUPAC name of benzyl N-[6-(methylamino)hexyl]carbamate (CID 14423361) is benzyl N-[6-(methylamino)hexyl]carbamate.
What is the SMILES notation for benzyl N-[6-(methylamino)hexyl]carbamate?
The canonical SMILES for benzyl N-[6-(methylamino)hexyl]carbamate is CNCCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[6-(methylamino)hexyl]carbamate?
The InChIKey is NBQLPCSVDWPHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-11-7-2-3-8-12-17-15(18)19-13-14-9-5-4-6-10-14/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,17,18).
What are the key properties of benzyl N-[6-(methylamino)hexyl]carbamate?
benzyl N-[6-(methylamino)hexyl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-(methylamino)hexyl]carbamate is sourced from PubChem (CID 14423361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).