6-(methylamino)hexyl carbamate

C8H18N2O2 — CID 87971440

IUPAC6-(methylamino)hexyl carbamate
SMILESCNCCCCCCOC(N)=O
InChIInChI=1S/C8H18N2O2/c1-10-6-4-2-3-5-7-12-8(9)11/h10H,2-7H2,1H3,(H2,9,11)
InChIKeyKRDSYHPGJLXTJP-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.86
Rot. Bonds7

About 6-(methylamino)hexyl carbamate

6-(methylamino)hexyl carbamate (PubChem CID 87971440) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-(methylamino)hexyl carbamate.

Molecular Properties

Compound Name6-(methylamino)hexyl carbamate
PubChem CID87971440
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name6-(methylamino)hexyl carbamate
SMILESCNCCCCCCOC(N)=O
InChIInChI=1S/C8H18N2O2/c1-10-6-4-2-3-5-7-12-8(9)11/h10H,2-7H2,1H3,(H2,9,11)
InChIKeyKRDSYHPGJLXTJP-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.86
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

9-carbamoyloxynonyl carbamate
CID 87883969
5-(propylamino)pentyl carbamate
CID 175255674
4-(methylamino)butyl 2-chloroacetate
CID 161447305
5-(tert-butylamino)pentyl carbamate;hydrochloride
CID 117067988
octacosyl carbamate
CID 160925840
16-methylheptadecyl carbamate
CID 175072884
14-methylpentadecyl carbamate
CID 175375850
bis[6-(methylamino)hexyl] 3-hydroxy-3-methylpentanedioate
CID 174279824
4-(3-aminopropylamino)butyl carbamate
CID 175431367
methyl 18-carbamoyloxyoctadecanoate
CID 126739375
butyl 6-(methylamino)hexanoate
CID 14437323
9-aminononyl carbamate
CID 87884060

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)hexyl carbamate?
The IUPAC name of 6-(methylamino)hexyl carbamate (CID 87971440) is 6-(methylamino)hexyl carbamate.
What is the SMILES notation for 6-(methylamino)hexyl carbamate?
The canonical SMILES for 6-(methylamino)hexyl carbamate is CNCCCCCCOC(N)=O.
What is the InChIKey of 6-(methylamino)hexyl carbamate?
The InChIKey is KRDSYHPGJLXTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-10-6-4-2-3-5-7-12-8(9)11/h10H,2-7H2,1H3,(H2,9,11).
What are the key properties of 6-(methylamino)hexyl carbamate?
6-(methylamino)hexyl carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)hexyl carbamate is sourced from PubChem (CID 87971440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).