(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol

C17H28N2O — CID 99815208

IUPAC(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-19(2)13-16(20)12-18-17-10-6-9-15(17)11-14-7-4-3-5-8-14/h3-5,7-8,15-18,20H,6,9-13H2,1-2H3/t15-,16-,17-/m1/s1
InChIKeyOAGBLHRSQXVBCI-BRWVUGGUSA-N
MW276.42 g/mol
LogP1.91
Rot. Bonds7

About (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol

(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol (PubChem CID 99815208) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol
PubChem CID99815208
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@H](O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-19(2)13-16(20)12-18-17-10-6-9-15(17)11-14-7-4-3-5-8-14/h3-5,7-8,15-18,20H,6,9-13H2,1-2H3/t15-,16-,17-/m1/s1
InChIKeyOAGBLHRSQXVBCI-BRWVUGGUSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol with MolForge

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Related Compounds

2-[[3-(dimethylamino)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62358751
2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
CID 99792150
N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
CID 99579151
1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
CID 64593174
3-[(2-benzylcyclopentyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002977
N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
CID 106360731
2-[[(1R,2S)-2-benzylcyclopentyl]amino]-N,N-bis(prop-2-enyl)acetamide
CID 99792155
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 62305455
4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol (CID 99815208) is (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol is CN(C)C[C@H](O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1.
What is the InChIKey of (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol?
The InChIKey is OAGBLHRSQXVBCI-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(2)13-16(20)12-18-17-10-6-9-15(17)11-14-7-4-3-5-8-14/h3-5,7-8,15-18,20H,6,9-13H2,1-2H3/t15-,16-,17-/m1/s1.
What are the key properties of (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol?
(2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1R,2R)-2-benzylcyclopentyl]amino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 99815208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).