(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine

C11H23N — CID 79592541

IUPAC(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
SMILESCCC(C)/C=C/CCNC(C)C
InChIInChI=1S/C11H23N/c1-5-11(4)8-6-7-9-12-10(2)3/h6,8,10-12H,5,7,9H2,1-4H3/b8-6+
InChIKeyIGCHUSLHFVMKMQ-SOFGYWHQSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine

(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine (PubChem CID 79592541) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
PubChem CID79592541
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
SMILESCCC(C)/C=C/CCNC(C)C
InChIInChI=1S/C11H23N/c1-5-11(4)8-6-7-9-12-10(2)3/h6,8,10-12H,5,7,9H2,1-4H3/b8-6+
InChIKeyIGCHUSLHFVMKMQ-SOFGYWHQSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-5-methyl-N-propan-2-ylhept-3-en-1-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 (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine?
The IUPAC name of (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine (CID 79592541) is (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine.
What is the SMILES notation for (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine?
The canonical SMILES for (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine is CCC(C)/C=C/CCNC(C)C.
What is the InChIKey of (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine?
The InChIKey is IGCHUSLHFVMKMQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H23N/c1-5-11(4)8-6-7-9-12-10(2)3/h6,8,10-12H,5,7,9H2,1-4H3/b8-6+.
What are the key properties of (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine?
(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-N-propan-2-ylhept-3-en-1-amine is sourced from PubChem (CID 79592541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).