ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine

C11H21NO — CID 142896293

IUPACethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C(CNC)=C(\C=C)OC.CC
InChIInChI=1S/C9H15NO.C2H6/c1-5-8(7-10-3)9(6-2)11-4;1-2/h5-6,10H,1-2,7H2,3-4H3;1-2H3/b9-8-;
InChIKeyPPPQMYQCSYOZCS-UOQXYWCXSA-N
MW183.29 g/mol
LogP2.50
Rot. Bonds5

About ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine

ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine (PubChem CID 142896293) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine
PubChem CID142896293
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C(CNC)=C(\C=C)OC.CC
InChIInChI=1S/C9H15NO.C2H6/c1-5-8(7-10-3)9(6-2)11-4;1-2/h5-6,10H,1-2,7H2,3-4H3;1-2H3/b9-8-;
InChIKeyPPPQMYQCSYOZCS-UOQXYWCXSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
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

(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
(2E)-2-(1-fluoroethenyl)-3-methoxy-N,N-dimethylpenta-2,4-dien-1-amine
CID 144302515
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(Z,3E)-3-methoxy-3-(2-methylidene-1H-pyrrol-3-ylidene)prop-1-en-1-amine
CID 89146393
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
N-methyl-1-(2H-pyran-4-yl)methanamine
CID 91312473
2-Ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
CID 123179464
N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine
CID 123882157
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 134220357
(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine
CID 134406077
(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine
CID 138727843
ethane;(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975403

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine (CID 142896293) is ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine is C=C/C(CNC)=C(\C=C)OC.CC.
What is the InChIKey of ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine?
The InChIKey is PPPQMYQCSYOZCS-UOQXYWCXSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-5-8(7-10-3)9(6-2)11-4;1-2/h5-6,10H,1-2,7H2,3-4H3;1-2H3/b9-8-;.
What are the key properties of ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine?
ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-ethenyl-3-methoxy-N-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142896293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).