2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile

C12H20N2O — CID 63907548

IUPAC2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(COCC1CC1)C1CC1
InChIInChI=1S/C12H20N2O/c1-2-14-12(8-13,11-5-6-11)9-15-7-10-3-4-10/h10-11,14H,2-7,9H2,1H3
InChIKeyUYJJSHVEALXMNT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.69
Rot. Bonds7

About 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile

2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile (PubChem CID 63907548) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
PubChem CID63907548
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(COCC1CC1)C1CC1
InChIInChI=1S/C12H20N2O/c1-2-14-12(8-13,11-5-6-11)9-15-7-10-3-4-10/h10-11,14H,2-7,9H2,1H3
InChIKeyUYJJSHVEALXMNT-UHFFFAOYSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-heptoxypropanenitrile
CID 63906273
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905913
2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile
CID 103179775
2-cyclopropyl-3-(3,5-dimethylphenoxy)-2-(ethylamino)propanenitrile
CID 63907144
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
CID 104564930
2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
CID 63912507
2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile
CID 63906489
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
CID 63908192
3-(4-tert-butylphenoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63908608
2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile
CID 62384296
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile
CID 62384117

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile (CID 63907548) is 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile is CCNC(C#N)(COCC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile?
The InChIKey is UYJJSHVEALXMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-14-12(8-13,11-5-6-11)9-15-7-10-3-4-10/h10-11,14H,2-7,9H2,1H3.
What are the key properties of 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile has a molecular weight of 208.30 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63907548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).