3,7-dimethyl-N-pentyloct-1-en-2-amine

C15H31N — CID 126639573

IUPAC3,7-dimethyl-N-pentyloct-1-en-2-amine
SMILESC=C(NCCCCC)C(C)CCCC(C)C
InChIInChI=1S/C15H31N/c1-6-7-8-12-16-15(5)14(4)11-9-10-13(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyLDPBVXCOAUZRAL-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.74
Rot. Bonds10

About 3,7-dimethyl-N-pentyloct-1-en-2-amine

3,7-dimethyl-N-pentyloct-1-en-2-amine (PubChem CID 126639573) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3,7-dimethyl-N-pentyloct-1-en-2-amine.

Molecular Properties

Compound Name3,7-dimethyl-N-pentyloct-1-en-2-amine
PubChem CID126639573
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3,7-dimethyl-N-pentyloct-1-en-2-amine
SMILESC=C(NCCCCC)C(C)CCCC(C)C
InChIInChI=1S/C15H31N/c1-6-7-8-12-16-15(5)14(4)11-9-10-13(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyLDPBVXCOAUZRAL-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.74
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 3,7-dimethyl-N-pentyloct-1-en-2-amine?
The IUPAC name of 3,7-dimethyl-N-pentyloct-1-en-2-amine (CID 126639573) is 3,7-dimethyl-N-pentyloct-1-en-2-amine.
What is the SMILES notation for 3,7-dimethyl-N-pentyloct-1-en-2-amine?
The canonical SMILES for 3,7-dimethyl-N-pentyloct-1-en-2-amine is C=C(NCCCCC)C(C)CCCC(C)C.
What is the InChIKey of 3,7-dimethyl-N-pentyloct-1-en-2-amine?
The InChIKey is LDPBVXCOAUZRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-7-8-12-16-15(5)14(4)11-9-10-13(2)3/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 3,7-dimethyl-N-pentyloct-1-en-2-amine?
3,7-dimethyl-N-pentyloct-1-en-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-pentyloct-1-en-2-amine is sourced from PubChem (CID 126639573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).