N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine

C23H21N — CID 616519

IUPACN,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine
SMILESCN(C)C1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C23H21N/c1-24(2)23(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)22(23)19-14-8-4-9-15-19/h3-17H,1-2H3
InChIKeyUNLWNEPERAXLJV-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.07
Rot. Bonds4

About N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine

N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine (PubChem CID 616519) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine
PubChem CID616519
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC NameN,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine
SMILESCN(C)C1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C23H21N/c1-24(2)23(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)22(23)19-14-8-4-9-15-19/h3-17H,1-2H3
InChIKeyUNLWNEPERAXLJV-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1S)-2-methyl-1,3-diphenylcycloprop-2-ene-1-carboxylic acid
CID 71418523
[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene
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4-hydroxy-2-methyl-3,4-diphenylcyclobut-2-en-1-one
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(1,4-diazido-2,3,4-triphenylcyclobut-2-en-1-yl)benzene
CID 134975245
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
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1,1'-biphenyl;ethane;hydrobromide
CID 90342014
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine?
The IUPAC name of N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine (CID 616519) is N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine.
What is the SMILES notation for N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine?
The canonical SMILES for N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine is CN(C)C1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine?
The InChIKey is UNLWNEPERAXLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-24(2)23(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)22(23)19-14-8-4-9-15-19/h3-17H,1-2H3.
What are the key properties of N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine?
N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine has a molecular weight of 311.43 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine is sourced from PubChem (CID 616519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).