N,5-dimethyl-N-pent-4-enyloctan-3-amine

C15H31N — CID 129313880

IUPACN,5-dimethyl-N-pent-4-enyloctan-3-amine
SMILESC=CCCCN(C)C(CC)CC(C)CCC
InChIInChI=1S/C15H31N/c1-6-9-10-12-16(5)15(8-3)13-14(4)11-7-2/h6,14-15H,1,7-13H2,2-5H3
InChIKeyUEXRLGLVALCKQT-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.49
Rot. Bonds10

About N,5-dimethyl-N-pent-4-enyloctan-3-amine

N,5-dimethyl-N-pent-4-enyloctan-3-amine (PubChem CID 129313880) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,5-dimethyl-N-pent-4-enyloctan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-pent-4-enyloctan-3-amine
PubChem CID129313880
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,5-dimethyl-N-pent-4-enyloctan-3-amine
SMILESC=CCCCN(C)C(CC)CC(C)CCC
InChIInChI=1S/C15H31N/c1-6-9-10-12-16(5)15(8-3)13-14(4)11-7-2/h6,14-15H,1,7-13H2,2-5H3
InChIKeyUEXRLGLVALCKQT-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,5-dimethyl-N-pent-4-enyloctan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-pent-4-enyloctan-3-amine?
The IUPAC name of N,5-dimethyl-N-pent-4-enyloctan-3-amine (CID 129313880) is N,5-dimethyl-N-pent-4-enyloctan-3-amine.
What is the SMILES notation for N,5-dimethyl-N-pent-4-enyloctan-3-amine?
The canonical SMILES for N,5-dimethyl-N-pent-4-enyloctan-3-amine is C=CCCCN(C)C(CC)CC(C)CCC.
What is the InChIKey of N,5-dimethyl-N-pent-4-enyloctan-3-amine?
The InChIKey is UEXRLGLVALCKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-9-10-12-16(5)15(8-3)13-14(4)11-7-2/h6,14-15H,1,7-13H2,2-5H3.
What are the key properties of N,5-dimethyl-N-pent-4-enyloctan-3-amine?
N,5-dimethyl-N-pent-4-enyloctan-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-pent-4-enyloctan-3-amine is sourced from PubChem (CID 129313880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).