octan-2-amine

C8H19N — CID 12735

IUPACoctan-2-amine
SMILESCCCCCCC(C)N
InChIInChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3
InChIKeyHBXNJMZWGSCKPW-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.30
Rot. Bonds5

About octan-2-amine

octan-2-amine (PubChem CID 12735) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is octan-2-amine.

Molecular Properties

Compound Nameoctan-2-amine
PubChem CID12735
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Nameoctan-2-amine
SMILESCCCCCCC(C)N
InChIInChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3
InChIKeyHBXNJMZWGSCKPW-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.30
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 octan-2-amine?
The IUPAC name of octan-2-amine (CID 12735) is octan-2-amine.
What is the SMILES notation for octan-2-amine?
The canonical SMILES for octan-2-amine is CCCCCCC(C)N.
What is the InChIKey of octan-2-amine?
The InChIKey is HBXNJMZWGSCKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3.
What are the key properties of octan-2-amine?
octan-2-amine has a molecular weight of 129.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-amine is sourced from PubChem (CID 12735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).