methyl N-[12-(methylamino)dodecyl]carbamate

C15H32N2O2 — CID 158871093

IUPACmethyl N-[12-(methylamino)dodecyl]carbamate
SMILESCNCCCCCCCCCCCCNC(=O)OC
InChIInChI=1S/C15H32N2O2/c1-16-13-11-9-7-5-3-4-6-8-10-12-14-17-15(18)19-2/h16H,3-14H2,1-2H3,(H,17,18)
InChIKeyJBVUGOWCOQFYIX-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.46
Rot. Bonds13

About methyl N-[12-(methylamino)dodecyl]carbamate

methyl N-[12-(methylamino)dodecyl]carbamate (PubChem CID 158871093) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is methyl N-[12-(methylamino)dodecyl]carbamate.

Molecular Properties

Compound Namemethyl N-[12-(methylamino)dodecyl]carbamate
PubChem CID158871093
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Namemethyl N-[12-(methylamino)dodecyl]carbamate
SMILESCNCCCCCCCCCCCCNC(=O)OC
InChIInChI=1S/C15H32N2O2/c1-16-13-11-9-7-5-3-4-6-8-10-12-14-17-15(18)19-2/h16H,3-14H2,1-2H3,(H,17,18)
InChIKeyJBVUGOWCOQFYIX-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.46
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

N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
methyl N-nonylcarbamate
CID 5102101
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
prop-2-ynyl N-[6-(methylamino)hexyl]carbamate
CID 145294599
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
methyl N-hex-5-ynylcarbamate
CID 103758218

Frequently Asked Questions

What is the IUPAC name of methyl N-[12-(methylamino)dodecyl]carbamate?
The IUPAC name of methyl N-[12-(methylamino)dodecyl]carbamate (CID 158871093) is methyl N-[12-(methylamino)dodecyl]carbamate.
What is the SMILES notation for methyl N-[12-(methylamino)dodecyl]carbamate?
The canonical SMILES for methyl N-[12-(methylamino)dodecyl]carbamate is CNCCCCCCCCCCCCNC(=O)OC.
What is the InChIKey of methyl N-[12-(methylamino)dodecyl]carbamate?
The InChIKey is JBVUGOWCOQFYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-16-13-11-9-7-5-3-4-6-8-10-12-14-17-15(18)19-2/h16H,3-14H2,1-2H3,(H,17,18).
What are the key properties of methyl N-[12-(methylamino)dodecyl]carbamate?
methyl N-[12-(methylamino)dodecyl]carbamate has a molecular weight of 272.43 g/mol, XLogP of 3.46, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[12-(methylamino)dodecyl]carbamate is sourced from PubChem (CID 158871093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).