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

C11H21NO — CID 142547594

IUPACethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/OC)C(=C)C.CC
InChIInChI=1S/C9H15NO.C2H6/c1-5-8(6-10)9(11-4)7(2)3;1-2/h5H,1-2,6,10H2,3-4H3;1-2H3/b9-8-;
InChIKeyWSJLYJOGQNJCFA-UOQXYWCXSA-N
MW183.29 g/mol
LogP2.63
Rot. Bonds4

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

ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine (PubChem CID 142547594) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
PubChem CID142547594
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/OC)C(=C)C.CC
InChIInChI=1S/C9H15NO.C2H6/c1-5-8(6-10)9(11-4)7(2)3;1-2/h5H,1-2,6,10H2,3-4H3;1-2H3/b9-8-;
InChIKeyWSJLYJOGQNJCFA-UOQXYWCXSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.63
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-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610850
(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
CID 142547597
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
3-(bromomethyl)-4-methoxypenta-1,3-diene
CID 123418656
4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
CID 15914369
ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
CID 142966093
(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 145148215
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
(3Z)-4-bromo-3-methoxyhexa-1,3,5-trien-2-amine
CID 166130604
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
CID 145191934
ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine
CID 143945003

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine (CID 142547594) is ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine is C=C/C(CN)=C(/OC)C(=C)C.CC.
What is the InChIKey of ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine?
The InChIKey is WSJLYJOGQNJCFA-UOQXYWCXSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-5-8(6-10)9(11-4)7(2)3;1-2/h5H,1-2,6,10H2,3-4H3;1-2H3/b9-8-;.
What are the key properties of ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine?
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.63, 4 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-4-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142547594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).