(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine

C12H23NO — CID 143262742

IUPAC(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
SMILESCC/C(C)=C\C(=C(/C)OC)N(C)CC
InChIInChI=1S/C12H23NO/c1-7-10(3)9-12(11(4)14-6)13(5)8-2/h9H,7-8H2,1-6H3/b10-9-,12-11-
InChIKeyZVKCQGRQBFUPFU-BASFJDSNSA-N
MW197.32 g/mol
LogP3.17
Rot. Bonds5

About (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine

(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine (PubChem CID 143262742) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
PubChem CID143262742
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
SMILESCC/C(C)=C\C(=C(/C)OC)N(C)CC
InChIInChI=1S/C12H23NO/c1-7-10(3)9-12(11(4)14-6)13(5)8-2/h9H,7-8H2,1-6H3/b10-9-,12-11-
InChIKeyZVKCQGRQBFUPFU-BASFJDSNSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-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

2-Diethyl-amino-3-[(2-methyl)prop-1-en-1-yl]-6-methyl-4h-pyran
CID 13815686
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 123581075
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144
N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide
CID 143262691
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741
N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
CID 143406798
ethane;(3E)-N-ethyl-N,5-dimethyl-4-propoxyhexa-1,3,5-trien-2-amine
CID 145316989
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
CID 152805425
6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 156376838
(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
CID 163661840

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine?
The IUPAC name of (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine (CID 143262742) is (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine is CC/C(C)=C\C(=C(/C)OC)N(C)CC.
What is the InChIKey of (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine?
The InChIKey is ZVKCQGRQBFUPFU-BASFJDSNSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-10(3)9-12(11(4)14-6)13(5)8-2/h9H,7-8H2,1-6H3/b10-9-,12-11-.
What are the key properties of (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine?
(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine has a molecular weight of 197.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 143262742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).