N-(3-decoxypropyl)octan-1-amine

C21H45NO — CID 23026508

IUPACN-(3-decoxypropyl)octan-1-amine
SMILESCCCCCCCCCCOCCCNCCCCCCCC
InChIInChI=1S/C21H45NO/c1-3-5-7-9-11-12-14-16-20-23-21-17-19-22-18-15-13-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKeyKYQJZSYSMQWCFR-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.48
Rot. Bonds20

About N-(3-decoxypropyl)octan-1-amine

N-(3-decoxypropyl)octan-1-amine (PubChem CID 23026508) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is N-(3-decoxypropyl)octan-1-amine.

Molecular Properties

Compound NameN-(3-decoxypropyl)octan-1-amine
PubChem CID23026508
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC NameN-(3-decoxypropyl)octan-1-amine
SMILESCCCCCCCCCCOCCCNCCCCCCCC
InChIInChI=1S/C21H45NO/c1-3-5-7-9-11-12-14-16-20-23-21-17-19-22-18-15-13-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKeyKYQJZSYSMQWCFR-UHFFFAOYSA-N
XLogP6.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-decoxypropyl)octan-1-amine?
The IUPAC name of N-(3-decoxypropyl)octan-1-amine (CID 23026508) is N-(3-decoxypropyl)octan-1-amine.
What is the SMILES notation for N-(3-decoxypropyl)octan-1-amine?
The canonical SMILES for N-(3-decoxypropyl)octan-1-amine is CCCCCCCCCCOCCCNCCCCCCCC.
What is the InChIKey of N-(3-decoxypropyl)octan-1-amine?
The InChIKey is KYQJZSYSMQWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-3-5-7-9-11-12-14-16-20-23-21-17-19-22-18-15-13-10-8-6-4-2/h22H,3-21H2,1-2H3.
What are the key properties of N-(3-decoxypropyl)octan-1-amine?
N-(3-decoxypropyl)octan-1-amine has a molecular weight of 327.60 g/mol, XLogP of 6.48, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-decoxypropyl)octan-1-amine is sourced from PubChem (CID 23026508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).