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

C13H23N3O — CID 114399825

IUPAC2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESCCN1CCOC(CNCC2(CC#N)CC2)C1
InChIInChI=1S/C13H23N3O/c1-2-16-7-8-17-12(10-16)9-15-11-13(3-4-13)5-6-14/h12,15H,2-5,7-11H2,1H3
InChIKeySUPIBFWQNFRUQV-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.99
Rot. Bonds6

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

2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 114399825) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID114399825
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESCCN1CCOC(CNCC2(CC#N)CC2)C1
InChIInChI=1S/C13H23N3O/c1-2-16-7-8-17-12(10-16)9-15-11-13(3-4-13)5-6-14/h12,15H,2-5,7-11H2,1H3
InChIKeySUPIBFWQNFRUQV-UHFFFAOYSA-N
XLogP0.99
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 79071412
1-(4-ethylmorpholin-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 114112858
2-[1-[(1,4-dioxan-2-ylmethylamino)methyl]cyclopropyl]acetonitrile
CID 65497299
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
CID 78946650
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 79164858
3-ethyl-1-[(4-ethylmorpholin-2-yl)methylamino]pentan-2-ol
CID 106285209
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile (CID 114399825) is 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile is CCN1CCOC(CNCC2(CC#N)CC2)C1.
What is the InChIKey of 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is SUPIBFWQNFRUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16-7-8-17-12(10-16)9-15-11-13(3-4-13)5-6-14/h12,15H,2-5,7-11H2,1H3.
What are the key properties of 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 237.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 114399825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).