(5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane

C13H27NO — CID 145166301

IUPAC(5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane
SMILESC/C=C\C=C(CC)N(C)CC.CCOC
InChIInChI=1S/C10H19N.C3H8O/c1-5-8-9-10(6-2)11(4)7-3;1-3-4-2/h5,8-9H,6-7H2,1-4H3;3H2,1-2H3/b8-5-,10-9?;
InChIKeyYJSMMGMHMMFMJE-REHRGPRSSA-N
MW213.36 g/mol
LogP3.46
Rot. Bonds5

About (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane

(5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane (PubChem CID 145166301) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane.

Molecular Properties

Compound Name(5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane
PubChem CID145166301
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane
SMILESC/C=C\C=C(CC)N(C)CC.CCOC
InChIInChI=1S/C10H19N.C3H8O/c1-5-8-9-10(6-2)11(4)7-3;1-3-4-2/h5,8-9H,6-7H2,1-4H3;3H2,1-2H3/b8-5-,10-9?;
InChIKeyYJSMMGMHMMFMJE-REHRGPRSSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane 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

N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 123581075
(3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine
CID 134534216
1-[[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-methylamino]ethanol
CID 135181454
(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine
CID 135181456
(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
CID 135276508
ethane;(E)-N-(2-methoxyethyl)-N-methylpent-2-en-2-amine
CID 141865562
(3Z)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 141973566
(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine
CID 142050801
(4E,6E)-N,N-diethylocta-1,4,6-trien-4-amine
CID 142113185
triethyl-[(2E,5Z)-octa-2,5,7-trien-3-yl]azanium
CID 142854698
ethane;(3E)-N-ethyl-N-methylhexa-3,5-dien-3-amine
CID 143439563
N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 143531406

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane?
The IUPAC name of (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane (CID 145166301) is (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane.
What is the SMILES notation for (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane?
The canonical SMILES for (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane is C/C=C\C=C(CC)N(C)CC.CCOC.
What is the InChIKey of (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane?
The InChIKey is YJSMMGMHMMFMJE-REHRGPRSSA-N. The full InChI is InChI=1S/C10H19N.C3H8O/c1-5-8-9-10(6-2)11(4)7-3;1-3-4-2/h5,8-9H,6-7H2,1-4H3;3H2,1-2H3/b8-5-,10-9?;.
What are the key properties of (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane?
(5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane has a molecular weight of 213.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane is sourced from PubChem (CID 145166301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).