2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone

C15H28N2O2 — CID 94061744

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
SMILESCC(C)CCN(CC(=O)N1CCO[C@@H](C)C1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)6-7-16(14-4-5-14)11-15(18)17-8-9-19-13(3)10-17/h12-14H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyXDFWXVZQTSQDJI-ZDUSSCGKSA-N
MW268.40 g/mol
LogP1.74
Rot. Bonds6

About 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone

2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone (PubChem CID 94061744) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
PubChem CID94061744
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
SMILESCC(C)CCN(CC(=O)N1CCO[C@@H](C)C1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)6-7-16(14-4-5-14)11-15(18)17-8-9-19-13(3)10-17/h12-14H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyXDFWXVZQTSQDJI-ZDUSSCGKSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(3-methylbutyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 47025083
2-[(4-aminocyclohexyl)-ethylamino]-1-(2-methylmorpholin-4-yl)ethanone
CID 79116387
1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one
CID 78974180
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 106639754
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834906
1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone
CID 79705094
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 78963901
2-[ethyl(3-hydroxypropyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 115666525
1-(2-methylmorpholin-4-yl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106614579
2-[cyclopropyl(2-hydroxyethyl)amino]-1-morpholin-4-ylethanone
CID 60774443
2-methylmorpholine-4-carboperoxoic acid
CID 175134730
2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103705901

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone (CID 94061744) is 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone is CC(C)CCN(CC(=O)N1CCO[C@@H](C)C1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is XDFWXVZQTSQDJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)6-7-16(14-4-5-14)11-15(18)17-8-9-19-13(3)10-17/h12-14H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 94061744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).