2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile

C12H21N3O — CID 79071412

IUPAC2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESCN1CCOC(CNCC2(CC#N)CC2)C1
InChIInChI=1S/C12H21N3O/c1-15-6-7-16-11(9-15)8-14-10-12(2-3-12)4-5-13/h11,14H,2-4,6-10H2,1H3
InChIKeySTAZQMMFDAFTSN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.60
Rot. Bonds5

About 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 79071412) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID79071412
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESCN1CCOC(CNCC2(CC#N)CC2)C1
InChIInChI=1S/C12H21N3O/c1-15-6-7-16-11(9-15)8-14-10-12(2-3-12)4-5-13/h11,14H,2-4,6-10H2,1H3
InChIKeySTAZQMMFDAFTSN-UHFFFAOYSA-N
XLogP0.60
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 114399825
N-[(1-methylcyclopropyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 107166209
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 103969104
[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419179
N-[(1-methylcyclobutyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 106813132
2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile
CID 65497299
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
N-[(4-methylmorpholin-2-yl)methyl]-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102897468
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
CID 97045075
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
4,4-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79032963

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile (CID 79071412) is 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile is CN1CCOC(CNCC2(CC#N)CC2)C1.
What is the InChIKey of 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is STAZQMMFDAFTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-6-7-16-11(9-15)8-14-10-12(2-3-12)4-5-13/h11,14H,2-4,6-10H2,1H3.
What are the key properties of 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 223.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 79071412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).