methyl N-(4-methylhexyl)carbamate

C9H19NO2 — CID 126664152

IUPACmethyl N-(4-methylhexyl)carbamate
SMILESCCC(C)CCCNC(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-8(2)6-5-7-10-9(11)12-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyWGBARFBJLQVFML-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.17
Rot. Bonds5

About methyl N-(4-methylhexyl)carbamate

methyl N-(4-methylhexyl)carbamate (PubChem CID 126664152) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl N-(4-methylhexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methylhexyl)carbamate
PubChem CID126664152
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl N-(4-methylhexyl)carbamate
SMILESCCC(C)CCCNC(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-8(2)6-5-7-10-9(11)12-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyWGBARFBJLQVFML-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
4-methylhexylurea
CID 59582725
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-(4-diethoxysilylhexyl)carbamate
CID 154100096
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
methyl N-nonylcarbamate
CID 5102101
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
CID 166773435
methyl 23-methylpentacosanoate
CID 15047975
methyl (18R)-18-methylicosanoate
CID 102237844
2-methylbutyl N-propylcarbamate
CID 127538020
methyl 11-methyltridecanoate
CID 14122942

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methylhexyl)carbamate?
The IUPAC name of methyl N-(4-methylhexyl)carbamate (CID 126664152) is methyl N-(4-methylhexyl)carbamate.
What is the SMILES notation for methyl N-(4-methylhexyl)carbamate?
The canonical SMILES for methyl N-(4-methylhexyl)carbamate is CCC(C)CCCNC(=O)OC.
What is the InChIKey of methyl N-(4-methylhexyl)carbamate?
The InChIKey is WGBARFBJLQVFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-8(2)6-5-7-10-9(11)12-3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of methyl N-(4-methylhexyl)carbamate?
methyl N-(4-methylhexyl)carbamate has a molecular weight of 173.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methylhexyl)carbamate is sourced from PubChem (CID 126664152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).