4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one

C14H27N3O2 — CID 115316953

IUPAC4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
SMILESCNCC1CCCN1CCCC(=O)N1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-15-12-13-4-2-6-16(13)7-3-5-14(18)17-8-10-19-11-9-17/h13,15H,2-12H2,1H3
InChIKeyRSMIHWDBNOJUTH-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds6

About 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one

4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one (PubChem CID 115316953) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
PubChem CID115316953
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
SMILESCNCC1CCCN1CCCC(=O)N1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-15-12-13-4-2-6-16(13)7-3-5-14(18)17-8-10-19-11-9-17/h13,15H,2-12H2,1H3
InChIKeyRSMIHWDBNOJUTH-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111103101
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methanamine
CID 65160928
1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
CID 107008070
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
1-[3-(methylamino)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione;hydrochloride
CID 119493333
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 63848204
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine
CID 63191742

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one (CID 115316953) is 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one is CNCC1CCCN1CCCC(=O)N1CCOCC1.
What is the InChIKey of 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one?
The InChIKey is RSMIHWDBNOJUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-15-12-13-4-2-6-16(13)7-3-5-14(18)17-8-10-19-11-9-17/h13,15H,2-12H2,1H3.
What are the key properties of 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one?
4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 115316953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).