(2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine

C22H27NO — CID 169104069

IUPAC(2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine
SMILESC=C(/C(=C(/C)C(NC)OCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO/c1-5-16-24-22(23-4)18(3)21(20-14-10-7-11-15-20)17(2)19-12-8-6-9-13-19/h6-15,22-23H,2,5,16H2,1,3-4H3/b21-18+
InChIKeyMBPNDMYEIMUPEL-DYTRJAOYSA-N
MW321.46 g/mol
LogP5.15
Rot. Bonds8

About (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine

(2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine (PubChem CID 169104069) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine
PubChem CID169104069
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine
SMILESC=C(/C(=C(/C)C(NC)OCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO/c1-5-16-24-22(23-4)18(3)21(20-14-10-7-11-15-20)17(2)19-12-8-6-9-13-19/h6-15,22-23H,2,5,16H2,1,3-4H3/b21-18+
InChIKeyMBPNDMYEIMUPEL-DYTRJAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 123945061
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4-Benzyl-5-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
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2,3-Diphenyl-5-methylamino-2,5-dihydrofuran
CID 20133683
N-ethyl-4,5-diphenyl-2,5-dihydrofuran-2-amine
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N-butyl-4,5-diphenyl-2,5-dihydrofuran-2-amine
CID 20133706
4,5-diphenyl-N-propyl-2,5-dihydrofuran-2-amine
CID 20133709
2,3-Diphenyl-5-methylamino-2,5-dihydrofuran hydrochloride
CID 20133722
N-butyl-N-(1-ethoxy-3-phenylprop-2-enyl)butan-1-amine
CID 53635778
1-ethoxy-N-methyl-3-phenylprop-2-en-1-amine
CID 53679737
N,N-dimethyl-3-phenyl-1-propoxyprop-2-en-1-amine
CID 53741658
1-ethoxy-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 53758774

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine (CID 169104069) is (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine is C=C(/C(=C(/C)C(NC)OCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine?
The InChIKey is MBPNDMYEIMUPEL-DYTRJAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-5-16-24-22(23-4)18(3)21(20-14-10-7-11-15-20)17(2)19-12-8-6-9-13-19/h6-15,22-23H,2,5,16H2,1,3-4H3/b21-18+.
What are the key properties of (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine?
(2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine has a molecular weight of 321.46 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,2-dimethyl-3,4-diphenyl-1-propoxypenta-2,4-dien-1-amine is sourced from PubChem (CID 169104069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).