3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one

C15H28N2O2 — CID 112700334

IUPAC3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)CCCCC1NCCC(=O)N1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-15(2)7-4-3-5-13(15)16-8-6-14(18)17-9-11-19-12-10-17/h13,16H,3-12H2,1-2H3
InChIKeyKNYLMFQSCSJQRP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one

3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 112700334) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID112700334
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)CCCCC1NCCC(=O)N1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-15(2)7-4-3-5-13(15)16-8-6-14(18)17-9-11-19-12-10-17/h13,16H,3-12H2,1-2H3
InChIKeyKNYLMFQSCSJQRP-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclohexyl)morpholine-4-carboxamide
CID 113255358
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
CID 114817889
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
CID 103991059
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 106658991
4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
CID 145476658
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639
2-[(4,4-dimethylthian-3-yl)amino]-1-morpholin-4-ylethanone
CID 113405955
3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-3-carboxamide
CID 115738095

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one (CID 112700334) is 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one is CC1(C)CCCCC1NCCC(=O)N1CCOCC1.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KNYLMFQSCSJQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2)7-4-3-5-13(15)16-8-6-14(18)17-9-11-19-12-10-17/h13,16H,3-12H2,1-2H3.
What are the key properties of 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112700334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).