N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine

C25H29NO — CID 163890611

IUPACN-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine
SMILESCC(C)C1=C(NC=C(c2ccccc2)c2ccccc2)C(C(C)C)C=CO1
InChIInChI=1S/C25H29NO/c1-18(2)22-15-16-27-25(19(3)4)24(22)26-17-23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-19,22,26H,1-4H3
InChIKeyUVLBUIRILKRFOD-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.35
Rot. Bonds6

About N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine

N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine (PubChem CID 163890611) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine
PubChem CID163890611
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine
SMILESCC(C)C1=C(NC=C(c2ccccc2)c2ccccc2)C(C(C)C)C=CO1
InChIInChI=1S/C25H29NO/c1-18(2)22-15-16-27-25(19(3)4)24(22)26-17-23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-19,22,26H,1-4H3
InChIKeyUVLBUIRILKRFOD-UHFFFAOYSA-N
XLogP6.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z)-1-[3-(3-fluorophenyl)-5-methoxycyclohexa-2,4-dien-1-ylidene]ethyl]cyclohexanamine
CID 71179928
4-[(Z)-2-methoxy-1-phenylethenyl]piperidine
CID 54767092
4-(2-Methoxy-1-phenylethenyl)piperidine
CID 67125303
N-(2-ethoxypropyl)-3,3-diphenylpropan-1-amine
CID 67127545
3,5-Diethyl-4-phenyl-2-propyl-1,4-dihydropyridine
CID 67707378
N-(3,3-diphenylpropyl)-4-ethoxy-1-methylcyclohexa-2,4-dien-1-amine
CID 70405539
3-cyclohexyl-N-(4-methoxybutyl)-4-phenylbutan-1-amine
CID 91290065
N-(1-methoxypropan-2-yl)-3,3-diphenylpropan-1-amine
CID 129095985
(2R)-7-(5-ethyl-6-methoxy-1-methyl-2H-pyridin-3-yl)-N-methyl-2-phenylheptan-1-amine
CID 134292337
2-(3-bicyclo[4.1.0]hepta-2,4-dienyl)-4-phenyl-2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine;ethane;2-methoxyprop-1-ene
CID 142986304
ethane;(2Z,4Z,8Z,10Z)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,7-dimethylidene-1-oxacycloundeca-2,4,8,10-tetraene;N-[(1Z,3E)-3-[3-[(3Z)-hexa-1,3,5-trienyl]cyclobuten-1-yl]hexa-1,3,5-trienyl]-4-(4-phenylphenyl)cyclopenta-1,3-dien-1-amine
CID 144809743
1,1'-biphenyl;(E)-3-cyclopentyloxy-N-methylbut-2-en-2-amine;ethane;toluene
CID 145478082

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine?
The IUPAC name of N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine (CID 163890611) is N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine.
What is the SMILES notation for N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine?
The canonical SMILES for N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine is CC(C)C1=C(NC=C(c2ccccc2)c2ccccc2)C(C(C)C)C=CO1.
What is the InChIKey of N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine?
The InChIKey is UVLBUIRILKRFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-18(2)22-15-16-27-25(19(3)4)24(22)26-17-23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-19,22,26H,1-4H3.
What are the key properties of N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine?
N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine has a molecular weight of 359.51 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-2,4-di(propan-2-yl)-4H-pyran-3-amine is sourced from PubChem (CID 163890611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).