(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine

C9H17NO — CID 142050801

IUPAC(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine
SMILESC=C/C=C(/CCOC)N(C)C
InChIInChI=1S/C9H17NO/c1-5-6-9(10(2)3)7-8-11-4/h5-6H,1,7-8H2,2-4H3/b9-6-
InChIKeyXVXPZPROEDZXJF-TWGQIWQCSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds5

About (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine

(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine (PubChem CID 142050801) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine
PubChem CID142050801
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine
SMILESC=C/C=C(/CCOC)N(C)C
InChIInChI=1S/C9H17NO/c1-5-6-9(10(2)3)7-8-11-4/h5-6H,1,7-8H2,2-4H3/b9-6-
InChIKeyXVXPZPROEDZXJF-TWGQIWQCSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 123581075
(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine
CID 135181456
N-[(3Z)-1-methoxyhexa-3,5-dien-3-yl]methanimine
CID 141951201
(5Z)-N-ethyl-N-methylhepta-3,5-dien-3-amine;methoxyethane
CID 145166301
(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
CID 163661840
(3Z)-N-[(2S)-butan-2-yl]-N-(3-methoxypropyl)hexa-1,3-dien-2-amine
CID 173968545
1-(3-Methoxypropyl)-5-methyl-2,3-dihydropyrrole
CID 175903549

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine?
The IUPAC name of (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine (CID 142050801) is (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine?
The canonical SMILES for (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine is C=C/C=C(/CCOC)N(C)C.
What is the InChIKey of (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine?
The InChIKey is XVXPZPROEDZXJF-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-9(10(2)3)7-8-11-4/h5-6H,1,7-8H2,2-4H3/b9-6-.
What are the key properties of (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine?
(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine is sourced from PubChem (CID 142050801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).