2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol

C22H30N2O — CID 68866970

IUPAC2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
SMILESN[C@@H]1CCN(CC(c2ccc3ccccc3c2)C2CCCCC2O)C1
InChIInChI=1S/C22H30N2O/c23-19-11-12-24(14-19)15-21(20-7-3-4-8-22(20)25)18-10-9-16-5-1-2-6-17(16)13-18/h1-2,5-6,9-10,13,19-22,25H,3-4,7-8,11-12,14-15,23H2/t19-,20?,21?,22?/m1/s1
InChIKeyYDYMFOOYXXTMSN-AOFALMCMSA-N
MW338.50 g/mol
LogP3.51
Rot. Bonds4

About 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol

2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol (PubChem CID 68866970) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
PubChem CID68866970
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
SMILESN[C@@H]1CCN(CC(c2ccc3ccccc3c2)C2CCCCC2O)C1
InChIInChI=1S/C22H30N2O/c23-19-11-12-24(14-19)15-21(20-7-3-4-8-22(20)25)18-10-9-16-5-1-2-6-17(16)13-18/h1-2,5-6,9-10,13,19-22,25H,3-4,7-8,11-12,14-15,23H2/t19-,20?,21?,22?/m1/s1
InChIKeyYDYMFOOYXXTMSN-AOFALMCMSA-N
XLogP3.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 61224802
2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 103532357
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
(3-cyclohexyl-1-naphthalen-2-ylpropyl)hydrazine
CID 105301523
cyclopentyl(naphthalen-2-yl)methanol
CID 62715022
(1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
CID 97075133
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
3-cyclohexyl-1-naphthalen-2-ylpropan-1-ol
CID 115792765
2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 86599940
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
CID 115302064

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The IUPAC name of 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol (CID 68866970) is 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol is N[C@@H]1CCN(CC(c2ccc3ccccc3c2)C2CCCCC2O)C1.
What is the InChIKey of 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The InChIKey is YDYMFOOYXXTMSN-AOFALMCMSA-N. The full InChI is InChI=1S/C22H30N2O/c23-19-11-12-24(14-19)15-21(20-7-3-4-8-22(20)25)18-10-9-16-5-1-2-6-17(16)13-18/h1-2,5-6,9-10,13,19-22,25H,3-4,7-8,11-12,14-15,23H2/t19-,20?,21?,22?/m1/s1.
What are the key properties of 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol has a molecular weight of 338.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 68866970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).