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

C14H29NO — CID 143262741

IUPACethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
SMILESCC.CC/C(C)=C\C(=C(/C)OC)N(C)CC
InChIInChI=1S/C12H23NO.C2H6/c1-7-10(3)9-12(11(4)14-6)13(5)8-2;1-2/h9H,7-8H2,1-6H3;1-2H3/b10-9-,12-11-;
InChIKeyDVGWMYLVEHUHIZ-IKWCUWQDSA-N
MW227.39 g/mol
LogP4.20
Rot. Bonds5

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

ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine (PubChem CID 143262741) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Nameethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
PubChem CID143262741
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
SMILESCC.CC/C(C)=C\C(=C(/C)OC)N(C)CC
InChIInChI=1S/C12H23NO.C2H6/c1-7-10(3)9-12(11(4)14-6)13(5)8-2;1-2/h9H,7-8H2,1-6H3;1-2H3/b10-9-,12-11-;
InChIKeyDVGWMYLVEHUHIZ-IKWCUWQDSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.20
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'}

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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
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
(2Z)-2-ethylidene-4-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 164585039

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine?
The IUPAC name of ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine (CID 143262741) is ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine?
The canonical SMILES for ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine is CC.CC/C(C)=C\C(=C(/C)OC)N(C)CC.
What is the InChIKey of ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine?
The InChIKey is DVGWMYLVEHUHIZ-IKWCUWQDSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-7-10(3)9-12(11(4)14-6)13(5)8-2;1-2/h9H,7-8H2,1-6H3;1-2H3/b10-9-,12-11-;.
What are the key properties of ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine?
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine has a molecular weight of 227.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 143262741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).