4-(octylamino)butan-1-ol;hydrochloride

C12H28ClNO — CID 71413305

IUPAC4-(octylamino)butan-1-ol;hydrochloride
SMILESCCCCCCCCNCCCCO.Cl
InChIInChI=1S/C12H27NO.ClH/c1-2-3-4-5-6-7-10-13-11-8-9-12-14;/h13-14H,2-12H2,1H3;1H
InChIKeyKVZWQJSBAZXRDY-UHFFFAOYSA-N
MW237.81 g/mol
LogP3.13
Rot. Bonds11

About 4-(octylamino)butan-1-ol;hydrochloride

4-(octylamino)butan-1-ol;hydrochloride (PubChem CID 71413305) has the molecular formula C12H28ClNO and a molecular weight of 237.81 g/mol. Its IUPAC name is 4-(octylamino)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(octylamino)butan-1-ol;hydrochloride
PubChem CID71413305
Molecular FormulaC12H28ClNO
Molecular Weight237.81 g/mol
Exact Mass237.19
IUPAC Name4-(octylamino)butan-1-ol;hydrochloride
SMILESCCCCCCCCNCCCCO.Cl
InChIInChI=1S/C12H27NO.ClH/c1-2-3-4-5-6-7-10-13-11-8-9-12-14;/h13-14H,2-12H2,1H3;1H
InChIKeyKVZWQJSBAZXRDY-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.81
LogP ≤ 53.13
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

8-(undecylamino)octan-1-ol
CID 139305047
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
4-[(pentylamino)methylamino]butan-1-ol
CID 138491403
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-hexyltridecan-1-amine
CID 87659278
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
octan-1-ol;dihydrochloride
CID 18442293
octane;N-octylnonan-1-amine
CID 145152206

Frequently Asked Questions

What is the IUPAC name of 4-(octylamino)butan-1-ol;hydrochloride?
The IUPAC name of 4-(octylamino)butan-1-ol;hydrochloride (CID 71413305) is 4-(octylamino)butan-1-ol;hydrochloride.
What is the SMILES notation for 4-(octylamino)butan-1-ol;hydrochloride?
The canonical SMILES for 4-(octylamino)butan-1-ol;hydrochloride is CCCCCCCCNCCCCO.Cl.
What is the InChIKey of 4-(octylamino)butan-1-ol;hydrochloride?
The InChIKey is KVZWQJSBAZXRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO.ClH/c1-2-3-4-5-6-7-10-13-11-8-9-12-14;/h13-14H,2-12H2,1H3;1H.
What are the key properties of 4-(octylamino)butan-1-ol;hydrochloride?
4-(octylamino)butan-1-ol;hydrochloride has a molecular weight of 237.81 g/mol, XLogP of 3.13, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octylamino)butan-1-ol;hydrochloride is sourced from PubChem (CID 71413305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).