N-hexyloctan-2-amine

C14H31N — CID 14902093

IUPACN-hexyloctan-2-amine
SMILESCCCCCCNC(C)CCCCCC
InChIInChI=1S/C14H31N/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h14-15H,4-13H2,1-3H3
InChIKeyPEKKRLZASLNCRK-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.52
Rot. Bonds11

About N-hexyloctan-2-amine

N-hexyloctan-2-amine (PubChem CID 14902093) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-hexyloctan-2-amine.

Molecular Properties

Compound NameN-hexyloctan-2-amine
PubChem CID14902093
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-hexyloctan-2-amine
SMILESCCCCCCNC(C)CCCCCC
InChIInChI=1S/C14H31N/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h14-15H,4-13H2,1-3H3
InChIKeyPEKKRLZASLNCRK-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 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 ≤ 54.52
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 N-hexyloctan-2-amine?
The IUPAC name of N-hexyloctan-2-amine (CID 14902093) is N-hexyloctan-2-amine.
What is the SMILES notation for N-hexyloctan-2-amine?
The canonical SMILES for N-hexyloctan-2-amine is CCCCCCNC(C)CCCCCC.
What is the InChIKey of N-hexyloctan-2-amine?
The InChIKey is PEKKRLZASLNCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h14-15H,4-13H2,1-3H3.
What are the key properties of N-hexyloctan-2-amine?
N-hexyloctan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyloctan-2-amine is sourced from PubChem (CID 14902093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).