2-pentylnonan-1-amine

C14H31N — CID 14344819

IUPAC2-pentylnonan-1-amine
SMILESCCCCCCCC(CN)CCCCC
InChIInChI=1S/C14H31N/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h14H,3-13,15H2,1-2H3
InChIKeyYAQAKQBMSVHFHQ-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.50
Rot. Bonds11

About 2-pentylnonan-1-amine

2-pentylnonan-1-amine (PubChem CID 14344819) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2-pentylnonan-1-amine.

Molecular Properties

Compound Name2-pentylnonan-1-amine
PubChem CID14344819
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2-pentylnonan-1-amine
SMILESCCCCCCCC(CN)CCCCC
InChIInChI=1S/C14H31N/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h14H,3-13,15H2,1-2H3
InChIKeyYAQAKQBMSVHFHQ-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.50
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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Frequently Asked Questions

What is the IUPAC name of 2-pentylnonan-1-amine?
The IUPAC name of 2-pentylnonan-1-amine (CID 14344819) is 2-pentylnonan-1-amine.
What is the SMILES notation for 2-pentylnonan-1-amine?
The canonical SMILES for 2-pentylnonan-1-amine is CCCCCCCC(CN)CCCCC.
What is the InChIKey of 2-pentylnonan-1-amine?
The InChIKey is YAQAKQBMSVHFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h14H,3-13,15H2,1-2H3.
What are the key properties of 2-pentylnonan-1-amine?
2-pentylnonan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylnonan-1-amine is sourced from PubChem (CID 14344819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).