(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine

C9H17NO — CID 88892028

IUPAC(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)OC)NC
InChIInChI=1S/C9H17NO/c1-5-9(10-3)7-6-8(2)11-4/h5-8,10H,1-4H3/b7-6-,9-5+
InChIKeyKHHFFKBZJSFCQQ-QRLJIZSYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds4

About (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine

(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine (PubChem CID 88892028) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine
PubChem CID88892028
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)OC)NC
InChIInChI=1S/C9H17NO/c1-5-9(10-3)7-6-8(2)11-4/h5-8,10H,1-4H3/b7-6-,9-5+
InChIKeyKHHFFKBZJSFCQQ-QRLJIZSYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine (CID 88892028) is (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine is C/C=C(\C=C/C(C)OC)NC.
What is the InChIKey of (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine?
The InChIKey is KHHFFKBZJSFCQQ-QRLJIZSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(10-3)7-6-8(2)11-4/h5-8,10H,1-4H3/b7-6-,9-5+.
What are the key properties of (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine?
(2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methoxy-N-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 88892028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).