N-butyloct-1-en-2-amine

C12H25N — CID 130411915

IUPACN-butyloct-1-en-2-amine
SMILESC=C(CCCCCC)NCCCC
InChIInChI=1S/C12H25N/c1-4-6-8-9-10-12(3)13-11-7-5-2/h13H,3-11H2,1-2H3
InChIKeyRCXAIVXUSNWBCT-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.86
Rot. Bonds9

About N-butyloct-1-en-2-amine

N-butyloct-1-en-2-amine (PubChem CID 130411915) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-butyloct-1-en-2-amine.

Molecular Properties

Compound NameN-butyloct-1-en-2-amine
PubChem CID130411915
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-butyloct-1-en-2-amine
SMILESC=C(CCCCCC)NCCCC
InChIInChI=1S/C12H25N/c1-4-6-8-9-10-12(3)13-11-7-5-2/h13H,3-11H2,1-2H3
InChIKeyRCXAIVXUSNWBCT-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.86
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-butyloct-1-en-2-amine?
The IUPAC name of N-butyloct-1-en-2-amine (CID 130411915) is N-butyloct-1-en-2-amine.
What is the SMILES notation for N-butyloct-1-en-2-amine?
The canonical SMILES for N-butyloct-1-en-2-amine is C=C(CCCCCC)NCCCC.
What is the InChIKey of N-butyloct-1-en-2-amine?
The InChIKey is RCXAIVXUSNWBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-6-8-9-10-12(3)13-11-7-5-2/h13H,3-11H2,1-2H3.
What are the key properties of N-butyloct-1-en-2-amine?
N-butyloct-1-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyloct-1-en-2-amine is sourced from PubChem (CID 130411915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).