6-aminohexan-1-ol;hydrochloride

C6H16ClNO — CID 21259387

IUPAC6-aminohexan-1-ol;hydrochloride
SMILESCl.NCCCCCCO
InChIInChI=1S/C6H15NO.ClH/c7-5-3-1-2-4-6-8;/h8H,1-7H2;1H
InChIKeyOTZWMVVGGCDNMA-UHFFFAOYSA-N
MW153.65 g/mol
LogP0.92
Rot. Bonds5

About 6-aminohexan-1-ol;hydrochloride

6-aminohexan-1-ol;hydrochloride (PubChem CID 21259387) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 6-aminohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name6-aminohexan-1-ol;hydrochloride
PubChem CID21259387
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name6-aminohexan-1-ol;hydrochloride
SMILESCl.NCCCCCCO
InChIInChI=1S/C6H15NO.ClH/c7-5-3-1-2-4-6-8;/h8H,1-7H2;1H
InChIKeyOTZWMVVGGCDNMA-UHFFFAOYSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 87686190
dodecan-1-amine;hexan-1-ol
CID 90011077
2-aminoethanol;butane-1,4-diol
CID 135347340
5-(5-aminopentylsulfonyl)pentan-1-ol;hydrochloride
CID 170915824
acetic acid;5-aminopentan-1-ol
CID 71566788
6-[4-aminobutyl(hydroxy)amino]hexan-1-ol
CID 167290111
octatriacontane-1,38-diamine
CID 54235792
hexane-1,6-diol;octane-1,8-diol
CID 21202869
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146

Frequently Asked Questions

What is the IUPAC name of 6-aminohexan-1-ol;hydrochloride?
The IUPAC name of 6-aminohexan-1-ol;hydrochloride (CID 21259387) is 6-aminohexan-1-ol;hydrochloride.
What is the SMILES notation for 6-aminohexan-1-ol;hydrochloride?
The canonical SMILES for 6-aminohexan-1-ol;hydrochloride is Cl.NCCCCCCO.
What is the InChIKey of 6-aminohexan-1-ol;hydrochloride?
The InChIKey is OTZWMVVGGCDNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.ClH/c7-5-3-1-2-4-6-8;/h8H,1-7H2;1H.
What are the key properties of 6-aminohexan-1-ol;hydrochloride?
6-aminohexan-1-ol;hydrochloride has a molecular weight of 153.65 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexan-1-ol;hydrochloride is sourced from PubChem (CID 21259387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).