(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine

C11H19NO — CID 143427083

IUPAC(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine
SMILESC=C/C=C(\C/C=C\COC)C(C)N
InChIInChI=1S/C11H19NO/c1-4-7-11(10(2)12)8-5-6-9-13-3/h4-7,10H,1,8-9,12H2,2-3H3/b6-5-,11-7+
InChIKeyDBASWFJMNOAIOM-GNLLZQBYSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds6

About (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine

(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine (PubChem CID 143427083) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine.

Molecular Properties

Compound Name(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine
PubChem CID143427083
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine
SMILESC=C/C=C(\C/C=C\COC)C(C)N
InChIInChI=1S/C11H19NO/c1-4-7-11(10(2)12)8-5-6-9-13-3/h4-7,10H,1,8-9,12H2,2-3H3/b6-5-,11-7+
InChIKeyDBASWFJMNOAIOM-GNLLZQBYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol
CID 170052776
(Z)-3-ethylpent-3-en-2-amine
CID 154025587
3,6-dimethoxyhexa-1,4-diene
CID 173199607
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
prop-2-enyl 2-aminopropanoate
CID 91515395
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
CID 143599769
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
(3Z)-1-methoxy-3-methylsulfanylhexa-3,5-dien-2-amine
CID 142180502

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine?
The IUPAC name of (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine (CID 143427083) is (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine.
What is the SMILES notation for (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine?
The canonical SMILES for (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine is C=C/C=C(\C/C=C\COC)C(C)N.
What is the InChIKey of (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine?
The InChIKey is DBASWFJMNOAIOM-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-7-11(10(2)12)8-5-6-9-13-3/h4-7,10H,1,8-9,12H2,2-3H3/b6-5-,11-7+.
What are the key properties of (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine?
(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine is sourced from PubChem (CID 143427083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).