N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine

C13H21NO — CID 143406798

IUPACN-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
SMILESC=C(C)/C(=C(\C)OC)N(/C=C\C)C1CC1
InChIInChI=1S/C13H21NO/c1-6-9-14(12-7-8-12)13(10(2)3)11(4)15-5/h6,9,12H,2,7-8H2,1,3-5H3/b9-6-,13-11-
InChIKeyQGXCVWSBQPJKAK-GAFAEJDHSA-N
MW207.32 g/mol
LogP3.44
Rot. Bonds5

About N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine

N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine (PubChem CID 143406798) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
PubChem CID143406798
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
SMILESC=C(C)/C(=C(\C)OC)N(/C=C\C)C1CC1
InChIInChI=1S/C13H21NO/c1-6-9-14(12-7-8-12)13(10(2)3)11(4)15-5/h6,9,12H,2,7-8H2,1,3-5H3/b9-6-,13-11-
InChIKeyQGXCVWSBQPJKAK-GAFAEJDHSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
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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Related Compounds

4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741
(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine
CID 143921330
(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
CID 163661840
(2Z)-2-ethylidene-4-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 164585039
(2E)-5-[(E)-2-methoxyprop-1-enyl]-1-methyl-3-methylidene-2-prop-2-enylidenepyrrole
CID 170940951
(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262742
3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole
CID 143510626

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine?
The IUPAC name of N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine (CID 143406798) is N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine.
What is the SMILES notation for N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine?
The canonical SMILES for N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine is C=C(C)/C(=C(\C)OC)N(/C=C\C)C1CC1.
What is the InChIKey of N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine?
The InChIKey is QGXCVWSBQPJKAK-GAFAEJDHSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-9-14(12-7-8-12)13(10(2)3)11(4)15-5/h6,9,12H,2,7-8H2,1,3-5H3/b9-6-,13-11-.
What are the key properties of N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine?
N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine has a molecular weight of 207.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine is sourced from PubChem (CID 143406798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).