5-methyl-N-propylhept-1-en-3-amine

C11H23N — CID 105000936

IUPAC5-methyl-N-propylhept-1-en-3-amine
SMILESC=CC(CC(C)CC)NCCC
InChIInChI=1S/C11H23N/c1-5-8-12-11(7-3)9-10(4)6-2/h7,10-12H,3,5-6,8-9H2,1-2,4H3
InChIKeyZZCUDGHXAARWCW-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds7

About 5-methyl-N-propylhept-1-en-3-amine

5-methyl-N-propylhept-1-en-3-amine (PubChem CID 105000936) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 5-methyl-N-propylhept-1-en-3-amine.

Molecular Properties

Compound Name5-methyl-N-propylhept-1-en-3-amine
PubChem CID105000936
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name5-methyl-N-propylhept-1-en-3-amine
SMILESC=CC(CC(C)CC)NCCC
InChIInChI=1S/C11H23N/c1-5-8-12-11(7-3)9-10(4)6-2/h7,10-12H,3,5-6,8-9H2,1-2,4H3
InChIKeyZZCUDGHXAARWCW-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propylhept-1-en-3-amine?
The IUPAC name of 5-methyl-N-propylhept-1-en-3-amine (CID 105000936) is 5-methyl-N-propylhept-1-en-3-amine.
What is the SMILES notation for 5-methyl-N-propylhept-1-en-3-amine?
The canonical SMILES for 5-methyl-N-propylhept-1-en-3-amine is C=CC(CC(C)CC)NCCC.
What is the InChIKey of 5-methyl-N-propylhept-1-en-3-amine?
The InChIKey is ZZCUDGHXAARWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-8-12-11(7-3)9-10(4)6-2/h7,10-12H,3,5-6,8-9H2,1-2,4H3.
What are the key properties of 5-methyl-N-propylhept-1-en-3-amine?
5-methyl-N-propylhept-1-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propylhept-1-en-3-amine is sourced from PubChem (CID 105000936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).