N-octylnonan-1-amine;hydrochloride

C17H38ClN — CID 90480847

IUPACN-octylnonan-1-amine;hydrochloride
SMILESCCCCCCCCCNCCCCCCCC.Cl
InChIInChI=1S/C17H37N.ClH/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3;1H
InChIKeyPJCRKZOCJXAYFC-UHFFFAOYSA-N
MW291.95 g/mol
LogP6.11
Rot. Bonds15

About N-octylnonan-1-amine;hydrochloride

N-octylnonan-1-amine;hydrochloride (PubChem CID 90480847) has the molecular formula C17H38ClN and a molecular weight of 291.95 g/mol. Its IUPAC name is N-octylnonan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-octylnonan-1-amine;hydrochloride
PubChem CID90480847
Molecular FormulaC17H38ClN
Molecular Weight291.95 g/mol
Exact Mass291.27
IUPAC NameN-octylnonan-1-amine;hydrochloride
SMILESCCCCCCCCCNCCCCCCCC.Cl
InChIInChI=1S/C17H37N.ClH/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3;1H
InChIKeyPJCRKZOCJXAYFC-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.95
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 519999
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CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-hexylhexan-1-amine;N-methylmethanamine
CID 157403903

Frequently Asked Questions

What is the IUPAC name of N-octylnonan-1-amine;hydrochloride?
The IUPAC name of N-octylnonan-1-amine;hydrochloride (CID 90480847) is N-octylnonan-1-amine;hydrochloride.
What is the SMILES notation for N-octylnonan-1-amine;hydrochloride?
The canonical SMILES for N-octylnonan-1-amine;hydrochloride is CCCCCCCCCNCCCCCCCC.Cl.
What is the InChIKey of N-octylnonan-1-amine;hydrochloride?
The InChIKey is PJCRKZOCJXAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.ClH/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3;1H.
What are the key properties of N-octylnonan-1-amine;hydrochloride?
N-octylnonan-1-amine;hydrochloride has a molecular weight of 291.95 g/mol, XLogP of 6.11, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylnonan-1-amine;hydrochloride is sourced from PubChem (CID 90480847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).