(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine

C14H19NO — CID 146163611

IUPAC(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine
SMILESC=C(C)CC(/C=C/c1ccccc1)NOC
InChIInChI=1S/C14H19NO/c1-12(2)11-14(15-16-3)10-9-13-7-5-4-6-8-13/h4-10,14-15H,1,11H2,2-3H3/b10-9+
InChIKeyWHEKDIKDWXWXOX-MDZDMXLPSA-N
MW217.31 g/mol
LogP3.19
Rot. Bonds6

About (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine

(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine (PubChem CID 146163611) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine.

Molecular Properties

Compound Name(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine
PubChem CID146163611
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine
SMILESC=C(C)CC(/C=C/c1ccccc1)NOC
InChIInChI=1S/C14H19NO/c1-12(2)11-14(15-16-3)10-9-13-7-5-4-6-8-13/h4-10,14-15H,1,11H2,2-3H3/b10-9+
InChIKeyWHEKDIKDWXWXOX-MDZDMXLPSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-3-[(E)-2-phenylethenyl]hex-5-en-1-ynyl]benzene
CID 101459398
(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine
CID 146163934
1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
CID 56837291
2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 88779532
2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 70585759
methyl 3-hydroxy-2-methylidene-5-phenylpent-4-enoate
CID 71340290
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
methyl (E)-3,5-diphenylpent-4-enoate
CID 15893254
(E,4S)-4-(4-methoxyphenoxy)-3-methylidene-6-phenylhex-5-en-2-one
CID 101436080
[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82210830
[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate
CID 11150092
[(1E,3S,4R,5R)-3,5-dimethoxy-4,6-dimethylhepta-1,6-dienyl]benzene
CID 101250829

Frequently Asked Questions

What is the IUPAC name of (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine?
The IUPAC name of (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine (CID 146163611) is (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine.
What is the SMILES notation for (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine?
The canonical SMILES for (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine is C=C(C)CC(/C=C/c1ccccc1)NOC.
What is the InChIKey of (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine?
The InChIKey is WHEKDIKDWXWXOX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H19NO/c1-12(2)11-14(15-16-3)10-9-13-7-5-4-6-8-13/h4-10,14-15H,1,11H2,2-3H3/b10-9+.
What are the key properties of (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine?
(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine has a molecular weight of 217.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine is sourced from PubChem (CID 146163611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).