(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol

C24H31NO — CID 59401599

IUPAC(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
SMILESO[C@H](C1CC1)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C24H31NO/c26-24(21-11-12-21)22-13-15-23(16-14-22)25(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,21-24,26H,11-18H2/t22?,23?,24-/m1/s1
InChIKeyNIMAMECZHLANRY-KXTRFFEISA-N
MW349.52 g/mol
LogP5.02
Rot. Bonds7

About (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol

(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol (PubChem CID 59401599) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
PubChem CID59401599
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
SMILESO[C@H](C1CC1)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C24H31NO/c26-24(21-11-12-21)22-13-15-23(16-14-22)25(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,21-24,26H,11-18H2/t22?,23?,24-/m1/s1
InChIKeyNIMAMECZHLANRY-KXTRFFEISA-N
XLogP5.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
N,N-dibenzylcyclobutanamine
CID 70822586
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
CID 71237036
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
CID 107113137
2-amino-3-[benzyl(cyclopropyl)amino]propanamide
CID 131050094
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072
1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
CID 129247626
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol?
The IUPAC name of (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol (CID 59401599) is (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol.
What is the SMILES notation for (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol?
The canonical SMILES for (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol is O[C@H](C1CC1)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol?
The InChIKey is NIMAMECZHLANRY-KXTRFFEISA-N. The full InChI is InChI=1S/C24H31NO/c26-24(21-11-12-21)22-13-15-23(16-14-22)25(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,21-24,26H,11-18H2/t22?,23?,24-/m1/s1.
What are the key properties of (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol?
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol has a molecular weight of 349.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol is sourced from PubChem (CID 59401599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).