trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine

C23H31NO2 — CID 102374726

IUPACtrans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine
SMILESCN[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1C
InChIInChI=1S/C23H31NO2/c1-19-13-23(14-22(19)24-2,17-25-15-20-9-5-3-6-10-20)18-26-16-21-11-7-4-8-12-21/h3-12,19,22,24H,13-18H2,1-2H3/t19-,22-/m0/s1
InChIKeyZXZZHMTWSJCOGX-UGKGYDQZSA-N
MW353.51 g/mol
LogP4.42
Rot. Bonds9

About trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine

trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine (PubChem CID 102374726) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine
PubChem CID102374726
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Nametrans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine
SMILESCN[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1C
InChIInChI=1S/C23H31NO2/c1-19-13-23(14-22(19)24-2,17-25-15-20-9-5-3-6-10-20)18-26-16-21-11-7-4-8-12-21/h3-12,19,22,24H,13-18H2,1-2H3/t19-,22-/m0/s1
InChIKeyZXZZHMTWSJCOGX-UGKGYDQZSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
CID 15473516
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 102940561
(1R,3R,4R,7S)-3,7-dimethoxy-5-methyl-1-(phenylmethoxymethyl)-2-oxabicyclo[2.2.1]heptane
CID 70790142
2-methoxy-N-[[3-(phenylmethoxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 102940611

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine (CID 102374726) is trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine is CN[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine?
The InChIKey is ZXZZHMTWSJCOGX-UGKGYDQZSA-N. The full InChI is InChI=1S/C23H31NO2/c1-19-13-23(14-22(19)24-2,17-25-15-20-9-5-3-6-10-20)18-26-16-21-11-7-4-8-12-21/h3-12,19,22,24H,13-18H2,1-2H3/t19-,22-/m0/s1.
What are the key properties of trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine?
trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine has a molecular weight of 353.51 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N,2-dimethyl-4,4-bis(phenylmethoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 102374726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).