octane;N-octylnonan-1-amine

C25H55N — CID 145152206

IUPACoctane;N-octylnonan-1-amine
SMILESCCCCCCCC.CCCCCCCCCNCCCCCCCC
InChIInChI=1S/C17H37N.C8H18/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-8-6-4-2/h18H,3-17H2,1-2H3;3-8H2,1-2H3
InChIKeyGFZDOULOGUVIHA-UHFFFAOYSA-N
MW369.72 g/mol
LogP9.05
Rot. Bonds20

About octane;N-octylnonan-1-amine

octane;N-octylnonan-1-amine (PubChem CID 145152206) has the molecular formula C25H55N and a molecular weight of 369.72 g/mol. Its IUPAC name is octane;N-octylnonan-1-amine.

Molecular Properties

Compound Nameoctane;N-octylnonan-1-amine
PubChem CID145152206
Molecular FormulaC25H55N
Molecular Weight369.72 g/mol
Exact Mass369.43
IUPAC Nameoctane;N-octylnonan-1-amine
SMILESCCCCCCCC.CCCCCCCCCNCCCCCCCC
InChIInChI=1S/C17H37N.C8H18/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-8-6-4-2/h18H,3-17H2,1-2H3;3-8H2,1-2H3
InChIKeyGFZDOULOGUVIHA-UHFFFAOYSA-N
XLogP9.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.72
LogP ≤ 59.05
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

N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397

Frequently Asked Questions

What is the IUPAC name of octane;N-octylnonan-1-amine?
The IUPAC name of octane;N-octylnonan-1-amine (CID 145152206) is octane;N-octylnonan-1-amine.
What is the SMILES notation for octane;N-octylnonan-1-amine?
The canonical SMILES for octane;N-octylnonan-1-amine is CCCCCCCC.CCCCCCCCCNCCCCCCCC.
What is the InChIKey of octane;N-octylnonan-1-amine?
The InChIKey is GFZDOULOGUVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.C8H18/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-8-6-4-2/h18H,3-17H2,1-2H3;3-8H2,1-2H3.
What are the key properties of octane;N-octylnonan-1-amine?
octane;N-octylnonan-1-amine has a molecular weight of 369.72 g/mol, XLogP of 9.05, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octane;N-octylnonan-1-amine is sourced from PubChem (CID 145152206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).