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

C7H13NO — CID 134468970

IUPAC(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine
SMILESC=C(C)/C(N)=C(\C)OC
InChIInChI=1S/C7H13NO/c1-5(2)7(8)6(3)9-4/h1,8H2,2-4H3/b7-6-
InChIKeyAZBXOBDFUAETPA-SREVYHEPSA-N
MW127.19 g/mol
LogP1.40
Rot. Bonds2

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

(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine (PubChem CID 134468970) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine
PubChem CID134468970
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine
SMILESC=C(C)/C(N)=C(\C)OC
InChIInChI=1S/C7H13NO/c1-5(2)7(8)6(3)9-4/h1,8H2,2-4H3/b7-6-
InChIKeyAZBXOBDFUAETPA-SREVYHEPSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.40
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'}

Analyze (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-cyclopropylidene-2-methyl-3-(2-methylprop-1-enoxy)prop-2-en-1-amine
CID 130390014
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
CID 137484755
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine
CID 143557847
(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
CID 143962844
(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine
CID 145234596
(2E,4E)-5-methoxy-3-methylhexa-2,4-dien-2-amine
CID 166762660
(3Z)-4-methoxyhexa-1,3-dien-3-amine
CID 169919469
(3E,5E)-6-methoxy-3,5-dimethylhepta-1,3,5-trien-4-amine
CID 172622408
CID 174035395
CID 174035395
(3Z)-2-methyl-4-methylperoxypenta-1,3-dien-3-amine
CID 143650435

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine?
The IUPAC name of (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine (CID 134468970) is (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine is C=C(C)/C(N)=C(\C)OC.
What is the InChIKey of (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine?
The InChIKey is AZBXOBDFUAETPA-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7(8)6(3)9-4/h1,8H2,2-4H3/b7-6-.
What are the key properties of (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine?
(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine has a molecular weight of 127.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine is sourced from PubChem (CID 134468970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).