2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile

C12H21N3O — CID 63912223

IUPAC2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile
SMILESCCC1COCCN1CC(N)(C#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-2-11-7-16-6-5-15(11)9-12(14,8-13)10-3-4-10/h10-11H,2-7,9,14H2,1H3
InChIKeyPGHCTKYHWFAWFX-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.73
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile

2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile (PubChem CID 63912223) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile
PubChem CID63912223
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile
SMILESCCC1COCCN1CC(N)(C#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-2-11-7-16-6-5-15(11)9-12(14,8-13)10-3-4-10/h10-11H,2-7,9,14H2,1H3
InChIKeyPGHCTKYHWFAWFX-UHFFFAOYSA-N
XLogP0.73
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid
CID 63909942
2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile
CID 63912714
2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64798573
2-amino-2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)propanenitrile
CID 63913745
methyl 2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propanoate
CID 63909549
N-[2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62256327
1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine
CID 79328207
2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
CID 62272323
4-(2-bromoprop-2-enyl)-3-ethylmorpholine
CID 130927364
3-(3-ethylmorpholin-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051592
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanenitrile
CID 63912920
2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile
CID 63906026

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile (CID 63912223) is 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile is CCC1COCCN1CC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile?
The InChIKey is PGHCTKYHWFAWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-11-7-16-6-5-15(11)9-12(14,8-13)10-3-4-10/h10-11H,2-7,9,14H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile?
2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile has a molecular weight of 223.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanenitrile is sourced from PubChem (CID 63912223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).