6-aminohexylcarbamic acid

C7H16N2O2 — CID 8913

IUPAC6-aminohexylcarbamic acid
SMILESNCCCCCCNC(=O)O
InChIInChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKeyHDIHOAXFFROQHR-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.77
Rot. Bonds6

About 6-aminohexylcarbamic acid

6-aminohexylcarbamic acid (PubChem CID 8913) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-aminohexylcarbamic acid.

Molecular Properties

Compound Name6-aminohexylcarbamic acid
PubChem CID8913
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name6-aminohexylcarbamic acid
SMILESNCCCCCCNC(=O)O
InChIInChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKeyHDIHOAXFFROQHR-UHFFFAOYSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 6-aminohexylcarbamic acid?
The IUPAC name of 6-aminohexylcarbamic acid (CID 8913) is 6-aminohexylcarbamic acid.
What is the SMILES notation for 6-aminohexylcarbamic acid?
The canonical SMILES for 6-aminohexylcarbamic acid is NCCCCCCNC(=O)O.
What is the InChIKey of 6-aminohexylcarbamic acid?
The InChIKey is HDIHOAXFFROQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11).
What are the key properties of 6-aminohexylcarbamic acid?
6-aminohexylcarbamic acid has a molecular weight of 160.22 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexylcarbamic acid is sourced from PubChem (CID 8913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).