1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one

C16H30N2O — CID 81329280

IUPAC1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CCCCC1C(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)14-7-4-5-8-15(14)17-13(3)11-18-10-6-9-16(18)19/h12-15,17H,4-11H2,1-3H3
InChIKeyHHDGHEKIZGMFPX-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one

1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one (PubChem CID 81329280) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
PubChem CID81329280
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1CCCCC1C(C)C
InChIInChI=1S/C16H30N2O/c1-12(2)14-7-4-5-8-15(14)17-13(3)11-18-10-6-9-16(18)19/h12-15,17H,4-11H2,1-3H3
InChIKeyHHDGHEKIZGMFPX-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 54865939
1-[2-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]pyrrolidin-2-one
CID 60931847
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-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 60935140
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865964
1-[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propyl]pyrrolidin-2-one
CID 60936516
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 54863219
1-[(2S)-2-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]amino]propyl]pyrrolidin-2-one
CID 124626760

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one (CID 81329280) is 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC1CCCCC1C(C)C.
What is the InChIKey of 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one?
The InChIKey is HHDGHEKIZGMFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)14-7-4-5-8-15(14)17-13(3)11-18-10-6-9-16(18)19/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one?
1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 81329280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).