(2S)-2-aminohexan-1-ol

C6H15NO — CID 5494388

IUPAC(2S)-2-aminohexan-1-ol
SMILESCCCC[C@H](N)CO
InChIInChI=1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1
InChIKeyDPEOTCPCYHSVTC-LURJTMIESA-N
MW117.19 g/mol
LogP0.50
Rot. Bonds4

About (2S)-2-aminohexan-1-ol

(2S)-2-aminohexan-1-ol (PubChem CID 5494388) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S)-2-aminohexan-1-ol.

Molecular Properties

Compound Name(2S)-2-aminohexan-1-ol
PubChem CID5494388
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S)-2-aminohexan-1-ol
SMILESCCCC[C@H](N)CO
InChIInChI=1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1
InChIKeyDPEOTCPCYHSVTC-LURJTMIESA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexan-1-ol?
The IUPAC name of (2S)-2-aminohexan-1-ol (CID 5494388) is (2S)-2-aminohexan-1-ol.
What is the SMILES notation for (2S)-2-aminohexan-1-ol?
The canonical SMILES for (2S)-2-aminohexan-1-ol is CCCC[C@H](N)CO.
What is the InChIKey of (2S)-2-aminohexan-1-ol?
The InChIKey is DPEOTCPCYHSVTC-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-aminohexan-1-ol?
(2S)-2-aminohexan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexan-1-ol is sourced from PubChem (CID 5494388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).