3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile

C10H19N3O — CID 114398825

IUPAC3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
SMILESCCC(CC#N)N1CCOC(CN)C1
InChIInChI=1S/C10H19N3O/c1-2-9(3-4-11)13-5-6-14-10(7-12)8-13/h9-10H,2-3,5-8,12H2,1H3
InChIKeyRBNJPPGVGGJUNR-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.34
Rot. Bonds4

About 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile

3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile (PubChem CID 114398825) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile.

Molecular Properties

Compound Name3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
PubChem CID114398825
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
SMILESCCC(CC#N)N1CCOC(CN)C1
InChIInChI=1S/C10H19N3O/c1-2-9(3-4-11)13-5-6-14-10(7-12)8-13/h9-10H,2-3,5-8,12H2,1H3
InChIKeyRBNJPPGVGGJUNR-UHFFFAOYSA-N
XLogP0.34
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-4-pentan-3-ylmorpholine
CID 81213271
3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
CID 103976557
2-(4-propan-2-ylmorpholin-2-yl)acetonitrile
CID 64534117
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
CID 79174299
2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 114398457
3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide
CID 81203856
[4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine
CID 114397778
[4-(2-ethylbutyl)morpholin-2-yl]methanamine
CID 82924060
2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile
CID 114398486
2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
CID 62949677
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanenitrile
CID 79938597
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile?
The IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile (CID 114398825) is 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile.
What is the SMILES notation for 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile?
The canonical SMILES for 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile is CCC(CC#N)N1CCOC(CN)C1.
What is the InChIKey of 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile?
The InChIKey is RBNJPPGVGGJUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-9(3-4-11)13-5-6-14-10(7-12)8-13/h9-10H,2-3,5-8,12H2,1H3.
What are the key properties of 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile?
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile has a molecular weight of 197.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile is sourced from PubChem (CID 114398825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).