3-aminohexyl N-butylcarbamate

C11H24N2O2 — CID 151177583

IUPAC3-aminohexyl N-butylcarbamate
SMILESCCCCNC(=O)OCCC(N)CCC
InChIInChI=1S/C11H24N2O2/c1-3-5-8-13-11(14)15-9-7-10(12)6-4-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyNDOZNJYEKZYEGA-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.03
Rot. Bonds8

About 3-aminohexyl N-butylcarbamate

3-aminohexyl N-butylcarbamate (PubChem CID 151177583) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-aminohexyl N-butylcarbamate.

Molecular Properties

Compound Name3-aminohexyl N-butylcarbamate
PubChem CID151177583
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-aminohexyl N-butylcarbamate
SMILESCCCCNC(=O)OCCC(N)CCC
InChIInChI=1S/C11H24N2O2/c1-3-5-8-13-11(14)15-9-7-10(12)6-4-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyNDOZNJYEKZYEGA-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 3-aminohexyl N-butylcarbamate?
The IUPAC name of 3-aminohexyl N-butylcarbamate (CID 151177583) is 3-aminohexyl N-butylcarbamate.
What is the SMILES notation for 3-aminohexyl N-butylcarbamate?
The canonical SMILES for 3-aminohexyl N-butylcarbamate is CCCCNC(=O)OCCC(N)CCC.
What is the InChIKey of 3-aminohexyl N-butylcarbamate?
The InChIKey is NDOZNJYEKZYEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-8-13-11(14)15-9-7-10(12)6-4-2/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of 3-aminohexyl N-butylcarbamate?
3-aminohexyl N-butylcarbamate has a molecular weight of 216.32 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminohexyl N-butylcarbamate is sourced from PubChem (CID 151177583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).