[4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate

C13H25NO3 — CID 150689675

IUPAC[4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1CCC(CCCCO)CC1
InChIInChI=1S/C13H25NO3/c1-14-13(16)17-10-12-7-5-11(6-8-12)4-2-3-9-15/h11-12,15H,2-10H2,1H3,(H,14,16)
InChIKeyJJPMPDINYDKPDL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.31
Rot. Bonds6

About [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate

[4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate (PubChem CID 150689675) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate
PubChem CID150689675
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1CCC(CCCCO)CC1
InChIInChI=1S/C13H25NO3/c1-14-13(16)17-10-12-7-5-11(6-8-12)4-2-3-9-15/h11-12,15H,2-10H2,1H3,(H,14,16)
InChIKeyJJPMPDINYDKPDL-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.31
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

cycloheptylmethyl N-methylcarbamate
CID 57322822
[4-(6-hydroxyhexoxycarbonyloxymethyl)cyclohexyl]methyl 6-hydroxyhexyl carbonate
CID 21031357
tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol
CID 22106764
ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 19748294
cyclopropylmethyl methyl carbonate
CID 54535586
methyl 4-[4-(3-hydroxypropyl)cyclohexyl]cyclohexane-1-carboxylate
CID 18979612
cyclopropylmethyl acetate
CID 538333
8-cyclopentyloctan-1-ol
CID 19083491
4-cycloheptylbutan-1-ol
CID 54439965
bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone
CID 151322497
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
methyl 2-[[4-(3-hydroxypropyl)cyclohexyl]amino]-2-methylpropanoate
CID 162510317

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate?
The IUPAC name of [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate (CID 150689675) is [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate.
What is the SMILES notation for [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate?
The canonical SMILES for [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate is CNC(=O)OCC1CCC(CCCCO)CC1.
What is the InChIKey of [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate?
The InChIKey is JJPMPDINYDKPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-14-13(16)17-10-12-7-5-11(6-8-12)4-2-3-9-15/h11-12,15H,2-10H2,1H3,(H,14,16).
What are the key properties of [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate?
[4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate has a molecular weight of 243.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate is sourced from PubChem (CID 150689675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).