1-aminohexylcarbamic acid

C7H16N2O2 — CID 19696912

IUPAC1-aminohexylcarbamic acid
SMILESCCCCCC(N)NC(=O)O
InChIInChI=1S/C7H16N2O2/c1-2-3-4-5-6(8)9-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)
InChIKeyOOSLBZBSWIXDGX-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.12
Rot. Bonds5

About 1-aminohexylcarbamic acid

1-aminohexylcarbamic acid (PubChem CID 19696912) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-aminohexylcarbamic acid.

Molecular Properties

Compound Name1-aminohexylcarbamic acid
PubChem CID19696912
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-aminohexylcarbamic acid
SMILESCCCCCC(N)NC(=O)O
InChIInChI=1S/C7H16N2O2/c1-2-3-4-5-6(8)9-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)
InChIKeyOOSLBZBSWIXDGX-UHFFFAOYSA-N
XLogP1.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-aminohexylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetracosan-7-ylcarbamic acid
CID 174971308
1-bromooctylcarbamic acid;hydrobromide
CID 88765955
tert-butyl N-(1-aminoundecyl)carbamate
CID 170534301
3-aminononanoic acid
CID 2832746
acetic acid;heptatriacontan-19-amine
CID 173373447
(1-octoxy-1-oxoheptan-2-yl)carbamic acid
CID 21259369
(1-oxo-1-pentoxyheptan-2-yl)carbamic acid;pentyl 2-aminoheptanoate
CID 173281200
(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
1-octylsulfanyldecylcarbamic acid
CID 18968626
sodium;3-aminohenicosanoic acid;hydride
CID 175144455

Frequently Asked Questions

What is the IUPAC name of 1-aminohexylcarbamic acid?
The IUPAC name of 1-aminohexylcarbamic acid (CID 19696912) is 1-aminohexylcarbamic acid.
What is the SMILES notation for 1-aminohexylcarbamic acid?
The canonical SMILES for 1-aminohexylcarbamic acid is CCCCCC(N)NC(=O)O.
What is the InChIKey of 1-aminohexylcarbamic acid?
The InChIKey is OOSLBZBSWIXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-2-3-4-5-6(8)9-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11).
What are the key properties of 1-aminohexylcarbamic acid?
1-aminohexylcarbamic acid has a molecular weight of 160.22 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminohexylcarbamic acid is sourced from PubChem (CID 19696912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).