2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol

C22H29NO — CID 71227791

IUPAC2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C22H29NO/c1-22(2,24)20-13-14-21(15-20)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-12,20-21,24H,13-17H2,1-2H3/t20-,21-/m0/s1
InChIKeyBTCMYSNXZMXCHP-SFTDATJTSA-N
MW323.48 g/mol
LogP4.63
Rot. Bonds6

About 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol

2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol (PubChem CID 71227791) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol
PubChem CID71227791
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C22H29NO/c1-22(2,24)20-13-14-21(15-20)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-12,20-21,24H,13-17H2,1-2H3/t20-,21-/m0/s1
InChIKeyBTCMYSNXZMXCHP-SFTDATJTSA-N
XLogP4.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[benzyl(methyl)amino]cyclohexyl]propan-2-ol
CID 158061780
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
CID 130952113
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
N-benzyl-4-tert-butyl-N-[(3,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 141030216
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379
N,N-dibenzylcyclobutanamine
CID 70822586
N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
CID 144654857
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
[(4S)-4-(dibenzylamino)-2-methylcyclohexyl]carbamic acid
CID 89477255

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol?
The IUPAC name of 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol (CID 71227791) is 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol.
What is the SMILES notation for 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol?
The canonical SMILES for 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol is CC(C)(O)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol?
The InChIKey is BTCMYSNXZMXCHP-SFTDATJTSA-N. The full InChI is InChI=1S/C22H29NO/c1-22(2,24)20-13-14-21(15-20)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-12,20-21,24H,13-17H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol?
2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-3-(dibenzylamino)cyclopentyl]propan-2-ol is sourced from PubChem (CID 71227791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).