1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one

C14H26N2O — CID 118911543

IUPAC1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one
SMILESC[C@H]1CCC[C@@H](NCCCN2CCCC2=O)C1
InChIInChI=1S/C14H26N2O/c1-12-5-2-6-13(11-12)15-8-4-10-16-9-3-7-14(16)17/h12-13,15H,2-11H2,1H3/t12-,13+/m0/s1
InChIKeyAASLINWWOXCNBH-QWHCGFSZSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds5

About 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one

1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one (PubChem CID 118911543) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one
PubChem CID118911543
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one
SMILESC[C@H]1CCC[C@@H](NCCCN2CCCC2=O)C1
InChIInChI=1S/C14H26N2O/c1-12-5-2-6-13(11-12)15-8-4-10-16-9-3-7-14(16)17/h12-13,15H,2-11H2,1H3/t12-,13+/m0/s1
InChIKeyAASLINWWOXCNBH-QWHCGFSZSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245
1-[3-[(4-ethylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 75413110
1-[3-(thiolan-3-ylamino)propyl]piperidin-2-one
CID 115717983
1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one
CID 104679985
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904
3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 115654251
(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
CID 94796136
3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920379
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
1-[3-(1-sulfanylethylamino)propyl]pyrrolidin-2-one
CID 130243875
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 63620169

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one (CID 118911543) is 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one is C[C@H]1CCC[C@@H](NCCCN2CCCC2=O)C1.
What is the InChIKey of 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one?
The InChIKey is AASLINWWOXCNBH-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-5-2-6-13(11-12)15-8-4-10-16-9-3-7-14(16)17/h12-13,15H,2-11H2,1H3/t12-,13+/m0/s1.
What are the key properties of 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one?
1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 118911543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).