(2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine

C7H13NO — CID 142022460

IUPAC(2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC)OC
InChIInChI=1S/C7H13NO/c1-4-5-7(9-3)6-8-2/h4-5,8H,1,6H2,2-3H3/b7-5-
InChIKeyCLNQYELJHMCTNX-ALCCZGGFSA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds4

About (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine

(2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine (PubChem CID 142022460) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine
PubChem CID142022460
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC)OC
InChIInChI=1S/C7H13NO/c1-4-5-7(9-3)6-8-2/h4-5,8H,1,6H2,2-3H3/b7-5-
InChIKeyCLNQYELJHMCTNX-ALCCZGGFSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.92
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 (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine (CID 142022460) is (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine is C=C/C=C(/CNC)OC.
What is the InChIKey of (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine?
The InChIKey is CLNQYELJHMCTNX-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(9-3)6-8-2/h4-5,8H,1,6H2,2-3H3/b7-5-.
What are the key properties of (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine?
(2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142022460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).