methyl N-hexyl-N-methylcarbamate

C9H19NO2 — CID 14923771

IUPACmethyl N-hexyl-N-methylcarbamate
SMILESCCCCCCN(C)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-5-6-7-8-10(2)9(11)12-3/h4-8H2,1-3H3
InChIKeyUGLRHIKVRCUKLU-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds5

About methyl N-hexyl-N-methylcarbamate

methyl N-hexyl-N-methylcarbamate (PubChem CID 14923771) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl N-hexyl-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-hexyl-N-methylcarbamate
PubChem CID14923771
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl N-hexyl-N-methylcarbamate
SMILESCCCCCCN(C)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-5-6-7-8-10(2)9(11)12-3/h4-8H2,1-3H3
InChIKeyUGLRHIKVRCUKLU-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-methyl-N-octylcarbamate
CID 15790108
[methyl(octadecyl)amino] N-methyl-N-octadecylcarbamate
CID 101201104
undecyl N-methyl-N-pentylcarbamate
CID 54297307
propan-2-yl N-methyl-N-octylcarbamate
CID 166755395
propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
CID 614798
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486

Frequently Asked Questions

What is the IUPAC name of methyl N-hexyl-N-methylcarbamate?
The IUPAC name of methyl N-hexyl-N-methylcarbamate (CID 14923771) is methyl N-hexyl-N-methylcarbamate.
What is the SMILES notation for methyl N-hexyl-N-methylcarbamate?
The canonical SMILES for methyl N-hexyl-N-methylcarbamate is CCCCCCN(C)C(=O)OC.
What is the InChIKey of methyl N-hexyl-N-methylcarbamate?
The InChIKey is UGLRHIKVRCUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-6-7-8-10(2)9(11)12-3/h4-8H2,1-3H3.
What are the key properties of methyl N-hexyl-N-methylcarbamate?
methyl N-hexyl-N-methylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hexyl-N-methylcarbamate is sourced from PubChem (CID 14923771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).