[2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine

C11H19NO — CID 145130179

IUPAC[2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine
SMILESC/C=C(C(=C/C)\OC)/C1CC1CN
InChIInChI=1S/C11H19NO/c1-4-9(11(5-2)13-3)10-6-8(10)7-12/h4-5,8,10H,6-7,12H2,1-3H3/b9-4-,11-5+
InChIKeyGQLUZAUYYUEFLU-WNEGIOFOSA-N
MW181.28 g/mol
LogP2.08
Rot. Bonds4

About [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine

[2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine (PubChem CID 145130179) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine
PubChem CID145130179
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine
SMILESC/C=C(C(=C/C)\OC)/C1CC1CN
InChIInChI=1S/C11H19NO/c1-4-9(11(5-2)13-3)10-6-8(10)7-12/h4-5,8,10H,6-7,12H2,1-3H3/b9-4-,11-5+
InChIKeyGQLUZAUYYUEFLU-WNEGIOFOSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine?
The IUPAC name of [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine (CID 145130179) is [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine is C/C=C(C(=C/C)\OC)/C1CC1CN.
What is the InChIKey of [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine?
The InChIKey is GQLUZAUYYUEFLU-WNEGIOFOSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-9(11(5-2)13-3)10-6-8(10)7-12/h4-5,8,10H,6-7,12H2,1-3H3/b9-4-,11-5+.
What are the key properties of [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine?
[2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine has a molecular weight of 181.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 145130179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).