4-methyl-N-propylundec-3-en-1-amine

C15H31N — CID 79597955

IUPAC4-methyl-N-propylundec-3-en-1-amine
SMILESCCCCCCCC(C)=CCCNCCC
InChIInChI=1S/C15H31N/c1-4-6-7-8-9-11-15(3)12-10-14-16-13-5-2/h12,16H,4-11,13-14H2,1-3H3
InChIKeyMNHHGXRFJZVDRY-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.68
Rot. Bonds11

About 4-methyl-N-propylundec-3-en-1-amine

4-methyl-N-propylundec-3-en-1-amine (PubChem CID 79597955) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-methyl-N-propylundec-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-N-propylundec-3-en-1-amine
PubChem CID79597955
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-methyl-N-propylundec-3-en-1-amine
SMILESCCCCCCCC(C)=CCCNCCC
InChIInChI=1S/C15H31N/c1-4-6-7-8-9-11-15(3)12-10-14-16-13-5-2/h12,16H,4-11,13-14H2,1-3H3
InChIKeyMNHHGXRFJZVDRY-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propylnon-3-en-1-amine
CID 79597954
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
4-methyl-7-methylsulfonyl-N-propylhept-3-en-1-amine
CID 79599261
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
4-methylheptadec-3-ene
CID 59169426
(E)-1-bromo-5-methylicos-4-ene
CID 172556960
4-methylnon-3-en-1-amine
CID 79593569

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propylundec-3-en-1-amine?
The IUPAC name of 4-methyl-N-propylundec-3-en-1-amine (CID 79597955) is 4-methyl-N-propylundec-3-en-1-amine.
What is the SMILES notation for 4-methyl-N-propylundec-3-en-1-amine?
The canonical SMILES for 4-methyl-N-propylundec-3-en-1-amine is CCCCCCCC(C)=CCCNCCC.
What is the InChIKey of 4-methyl-N-propylundec-3-en-1-amine?
The InChIKey is MNHHGXRFJZVDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-6-7-8-9-11-15(3)12-10-14-16-13-5-2/h12,16H,4-11,13-14H2,1-3H3.
What are the key properties of 4-methyl-N-propylundec-3-en-1-amine?
4-methyl-N-propylundec-3-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propylundec-3-en-1-amine is sourced from PubChem (CID 79597955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).