3-ethyl-N,4-dimethylhept-5-en-2-amine

C11H23N — CID 123467838

IUPAC3-ethyl-N,4-dimethylhept-5-en-2-amine
SMILESCC=CC(C)C(CC)C(C)NC
InChIInChI=1S/C11H23N/c1-6-8-9(3)11(7-2)10(4)12-5/h6,8-12H,7H2,1-5H3
InChIKeyDPAYSULXEPIQFP-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.83
Rot. Bonds5

About 3-ethyl-N,4-dimethylhept-5-en-2-amine

3-ethyl-N,4-dimethylhept-5-en-2-amine (PubChem CID 123467838) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-ethyl-N,4-dimethylhept-5-en-2-amine.

Molecular Properties

Compound Name3-ethyl-N,4-dimethylhept-5-en-2-amine
PubChem CID123467838
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-ethyl-N,4-dimethylhept-5-en-2-amine
SMILESCC=CC(C)C(CC)C(C)NC
InChIInChI=1S/C11H23N/c1-6-8-9(3)11(7-2)10(4)12-5/h6,8-12H,7H2,1-5H3
InChIKeyDPAYSULXEPIQFP-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.83
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 3-ethyl-N,4-dimethylhept-5-en-2-amine?
The IUPAC name of 3-ethyl-N,4-dimethylhept-5-en-2-amine (CID 123467838) is 3-ethyl-N,4-dimethylhept-5-en-2-amine.
What is the SMILES notation for 3-ethyl-N,4-dimethylhept-5-en-2-amine?
The canonical SMILES for 3-ethyl-N,4-dimethylhept-5-en-2-amine is CC=CC(C)C(CC)C(C)NC.
What is the InChIKey of 3-ethyl-N,4-dimethylhept-5-en-2-amine?
The InChIKey is DPAYSULXEPIQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-9(3)11(7-2)10(4)12-5/h6,8-12H,7H2,1-5H3.
What are the key properties of 3-ethyl-N,4-dimethylhept-5-en-2-amine?
3-ethyl-N,4-dimethylhept-5-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,4-dimethylhept-5-en-2-amine is sourced from PubChem (CID 123467838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).