2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile

C15H27N3O — CID 63912692

IUPAC2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
SMILESCOCCN(CC(C#N)(NC(C)C)C1CC1)C1CC1
InChIInChI=1S/C15H27N3O/c1-12(2)17-15(10-16,13-4-5-13)11-18(8-9-19-3)14-6-7-14/h12-14,17H,4-9,11H2,1-3H3
InChIKeyZCVMEHHMADAMBY-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.77
Rot. Bonds9

About 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile (PubChem CID 63912692) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
PubChem CID63912692
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
SMILESCOCCN(CC(C#N)(NC(C)C)C1CC1)C1CC1
InChIInChI=1S/C15H27N3O/c1-12(2)17-15(10-16,13-4-5-13)11-18(8-9-19-3)14-6-7-14/h12-14,17H,4-9,11H2,1-3H3
InChIKeyZCVMEHHMADAMBY-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile
CID 63912909
3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913097
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propanenitrile
CID 63912492
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propanenitrile
CID 63913959
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913568
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63912621
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913780
3-[butan-2-yl(butyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63914008
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
CID 63907007
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(methylamino)propanenitrile
CID 64522230
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63912431

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile (CID 63912692) is 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile is COCCN(CC(C#N)(NC(C)C)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is ZCVMEHHMADAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)17-15(10-16,13-4-5-13)11-18(8-9-19-3)14-6-7-14/h12-14,17H,4-9,11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 265.40 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63912692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).