2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one

C16H30N2O2 — CID 81392361

IUPAC2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(N[C@@H](C)C1CCCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C16H30N2O2/c1-13(15-7-5-3-4-6-8-15)17-14(2)16(19)18-9-11-20-12-10-18/h13-15,17H,3-12H2,1-2H3/t13-,14?/m0/s1
InChIKeyNJLZYTPXNYYLMN-LSLKUGRBSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds4

About 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one

2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 81392361) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID81392361
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(N[C@@H](C)C1CCCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C16H30N2O2/c1-13(15-7-5-3-4-6-8-15)17-14(2)16(19)18-9-11-20-12-10-18/h13-15,17H,3-12H2,1-2H3/t13-,14?/m0/s1
InChIKeyNJLZYTPXNYYLMN-LSLKUGRBSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81391730
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
1-cyclohexyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347766
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
(2S)-2-cyclohexyl-4-methyl-1-morpholin-4-ylpentan-1-one
CID 159145676
1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
CID 112551283
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one
CID 102731617
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 113484800
N-(1-cyclohexylethyl)-1-morpholin-4-ylpropan-2-amine
CID 43779482

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one (CID 81392361) is 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one is CC(N[C@@H](C)C1CCCCCC1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NJLZYTPXNYYLMN-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(15-7-5-3-4-6-8-15)17-14(2)16(19)18-9-11-20-12-10-18/h13-15,17H,3-12H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one?
2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 81392361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).