(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine

C13H17NO — CID 142985984

IUPAC(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/NC)Oc1cccc(C)c1
InChIInChI=1S/C13H17NO/c1-4-12(8-9-14-3)15-13-7-5-6-11(2)10-13/h4-10,14H,1-3H3/b9-8-,12-4+
InChIKeyIFDJEOIPEMASSI-FIYMPXMFSA-N
MW203.28 g/mol
LogP3.01
Rot. Bonds4

About (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine

(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine (PubChem CID 142985984) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine
PubChem CID142985984
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/NC)Oc1cccc(C)c1
InChIInChI=1S/C13H17NO/c1-4-12(8-9-14-3)15-13-7-5-6-11(2)10-13/h4-10,14H,1-3H3/b9-8-,12-4+
InChIKeyIFDJEOIPEMASSI-FIYMPXMFSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.01
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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Related Compounds

ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
CID 142857117
3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyaniline
CID 142867321
(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83820443
1-methyl-3-[(1E,3E)-3-(3-methylphenoxy)-1-[(2S)-1,1,1-trifluoropropan-2-yl]penta-1,3-dienoxy]benzene
CID 154531957
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
(3-methylphenyl) 3-aminopropanoate
CID 82111471
1-methyl-3-[(Z)-prop-1-enoxy]benzene
CID 643746
bis(3-methylphenyl) pentanedioate
CID 70246036
(3-methylphenyl) 6-aminopyridine-2-carboxylate
CID 117212817
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[(E)-2-methylbut-2-enoxy]benzene
CID 142973314
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 142063297

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine (CID 142985984) is (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine is C/C=C(\C=C/NC)Oc1cccc(C)c1.
What is the InChIKey of (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine?
The InChIKey is IFDJEOIPEMASSI-FIYMPXMFSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-12(8-9-14-3)15-13-7-5-6-11(2)10-13/h4-10,14H,1-3H3/b9-8-,12-4+.
What are the key properties of (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine?
(1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine has a molecular weight of 203.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N-methyl-3-(3-methylphenoxy)penta-1,3-dien-1-amine is sourced from PubChem (CID 142985984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).