(Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine

C11H19N — CID 138461694

IUPAC(Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine
SMILESC#CC(C)C/C=C(/C)CNCC
InChIInChI=1S/C11H19N/c1-5-10(3)7-8-11(4)9-12-6-2/h1,8,10,12H,6-7,9H2,2-4H3/b11-8-
InChIKeyRZTYROYXQWRUTA-FLIBITNWSA-N
MW165.28 g/mol
LogP2.20
Rot. Bonds5

About (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine

(Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine (PubChem CID 138461694) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine
PubChem CID138461694
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine
SMILESC#CC(C)C/C=C(/C)CNCC
InChIInChI=1S/C11H19N/c1-5-10(3)7-8-11(4)9-12-6-2/h1,8,10,12H,6-7,9H2,2-4H3/b11-8-
InChIKeyRZTYROYXQWRUTA-FLIBITNWSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-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

Related Compounds

(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine
CID 87373466
N-ethyl-5-methoxy-2,4-dimethylpent-2-en-1-amine
CID 104881853
(Z)-N-ethyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine
CID 155175001
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
CID 143707502
3-methylhept-5-en-1-yne
CID 123154929
(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
CID 166834532
3-cyclopentyl-N-ethyl-2-methylprop-2-en-1-amine
CID 79340901
(E)-2,4-dimethyl-N-propylhex-2-en-1-amine
CID 79340919
(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne
CID 159199153
N-tert-butylpent-1-yn-3-amine
CID 130264656
(E)-2,5-dimethyloct-4-ene
CID 173056267
(Z)-5-methylhept-4-en-2-amine
CID 143746463

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine?
The IUPAC name of (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine (CID 138461694) is (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine?
The canonical SMILES for (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine is C#CC(C)C/C=C(/C)CNCC.
What is the InChIKey of (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine?
The InChIKey is RZTYROYXQWRUTA-FLIBITNWSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10(3)7-8-11(4)9-12-6-2/h1,8,10,12H,6-7,9H2,2-4H3/b11-8-.
What are the key properties of (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine?
(Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine is sourced from PubChem (CID 138461694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).