1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one

C14H26N2O — CID 54865939

IUPAC1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
SMILESCC1CCC(NC(C)CN2CCCC2=O)CC1
InChIInChI=1S/C14H26N2O/c1-11-5-7-13(8-6-11)15-12(2)10-16-9-3-4-14(16)17/h11-13,15H,3-10H2,1-2H3
InChIKeyXFEVFAYYZIHBHQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one

1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one (PubChem CID 54865939) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
PubChem CID54865939
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
SMILESCC1CCC(NC(C)CN2CCCC2=O)CC1
InChIInChI=1S/C14H26N2O/c1-11-5-7-13(8-6-11)15-12(2)10-16-9-3-4-14(16)17/h11-13,15H,3-10H2,1-2H3
InChIKeyXFEVFAYYZIHBHQ-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 60935140
1-[2-[(1,1-dioxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865825
1-[2-[(1-oxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54981585
1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 103778451
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865964
1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 81329280
2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 54863219
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 60932602
ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 162255523
1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one
CID 60936516

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one (CID 54865939) is 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one is CC1CCC(NC(C)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The InChIKey is XFEVFAYYZIHBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-5-7-13(8-6-11)15-12(2)10-16-9-3-4-14(16)17/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one?
1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 54865939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).