(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol

C19H30N2O — CID 97078882

IUPAC(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
SMILESCC1CCC(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-15-7-9-17(10-8-15)20-12-18-11-19(22)14-21(18)13-16-5-3-2-4-6-16/h2-6,15,17-20,22H,7-14H2,1H3/t15?,17?,18-,19+/m0/s1
InChIKeyFAJGGXYGGWMBIT-SOTJZCEJSA-N
MW302.46 g/mol
LogP2.79
Rot. Bonds5

About (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol

(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol (PubChem CID 97078882) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
PubChem CID97078882
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
SMILESCC1CCC(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-15-7-9-17(10-8-15)20-12-18-11-19(22)14-21(18)13-16-5-3-2-4-6-16/h2-6,15,17-20,22H,7-14H2,1H3/t15?,17?,18-,19+/m0/s1
InChIKeyFAJGGXYGGWMBIT-SOTJZCEJSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 86786895
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
CID 110012487
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128574882
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 167925784
N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 97069938
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110028208
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
CID 155959673
2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 167856093
N-[[(2R,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-fluoro-6-hydroxybenzamide
CID 99822735
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 124840859

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol (CID 97078882) is (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol is CC1CCC(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1.
What is the InChIKey of (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is FAJGGXYGGWMBIT-SOTJZCEJSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15-7-9-17(10-8-15)20-12-18-11-19(22)14-21(18)13-16-5-3-2-4-6-16/h2-6,15,17-20,22H,7-14H2,1H3/t15?,17?,18-,19+/m0/s1.
What are the key properties of (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol?
(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 302.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 97078882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).