(2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine

C39H35N — CID 155690019

IUPAC(2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine
SMILESC(CN(CC=C(c1ccccc1)c1ccccc1)C1C[C@H]1c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H35N/c1-6-16-31(17-7-1)36(32-18-8-2-9-19-32)26-28-40(39-30-38(39)35-24-14-5-15-25-35)29-27-37(33-20-10-3-11-21-33)34-22-12-4-13-23-34/h1-27,38-39H,28-30H2/t38-,39?/m0/s1
InChIKeyDLJDAQPHQVECAI-SQTCDLSVSA-N
MW517.72 g/mol
LogP9.11
Rot. Bonds10

About (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine

(2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine (PubChem CID 155690019) has the molecular formula C39H35N and a molecular weight of 517.72 g/mol. Its IUPAC name is (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine
PubChem CID155690019
Molecular FormulaC39H35N
Molecular Weight517.72 g/mol
Exact Mass517.28
IUPAC Name(2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine
SMILESC(CN(CC=C(c1ccccc1)c1ccccc1)C1C[C@H]1c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H35N/c1-6-16-31(17-7-1)36(32-18-8-2-9-19-32)26-28-40(39-30-38(39)35-24-14-5-15-25-35)29-27-37(33-20-10-3-11-21-33)34-22-12-4-13-23-34/h1-27,38-39H,28-30H2/t38-,39?/m0/s1
InChIKeyDLJDAQPHQVECAI-SQTCDLSVSA-N
XLogP9.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.72
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-N,N-bis(prop-2-enyl)cyclopropan-1-amine
CID 67720717
2-phenyl-N,N-dipropylcyclopropan-1-amine;hydrochloride
CID 45264199
1-[(1R)-2-phenylcyclopropyl]-1-piperidin-4-ylhydrazine
CID 155021921
1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
CID 70921626
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
3,3-diphenylprop-2-ene-1-thiol
CID 87371964
N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
CID 154193937
N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 6580975
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide
CID 70559701
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 6437916
3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 97248877

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine (CID 155690019) is (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine is C(CN(CC=C(c1ccccc1)c1ccccc1)C1C[C@H]1c1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine?
The InChIKey is DLJDAQPHQVECAI-SQTCDLSVSA-N. The full InChI is InChI=1S/C39H35N/c1-6-16-31(17-7-1)36(32-18-8-2-9-19-32)26-28-40(39-30-38(39)35-24-14-5-15-25-35)29-27-37(33-20-10-3-11-21-33)34-22-12-4-13-23-34/h1-27,38-39H,28-30H2/t38-,39?/m0/s1.
What are the key properties of (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine?
(2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine has a molecular weight of 517.72 g/mol, XLogP of 9.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(3,3-diphenylprop-2-enyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 155690019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).