2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile

C12H22N2O — CID 64726414

IUPAC2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
SMILESCCCOC(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C12H22N2O/c1-4-7-15-10(2)8-12(3,9-13)14-11-5-6-11/h10-11,14H,4-8H2,1-3H3
InChIKeyCGOTUOTYRHFFRS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.23
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile

2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile (PubChem CID 64726414) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
PubChem CID64726414
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
SMILESCCCOC(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C12H22N2O/c1-4-7-15-10(2)8-12(3,9-13)14-11-5-6-11/h10-11,14H,4-8H2,1-3H3
InChIKeyCGOTUOTYRHFFRS-UHFFFAOYSA-N
XLogP2.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
CID 64727774
2-(cyclopropylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentanenitrile
CID 82787982
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile
CID 64726687
2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile
CID 64728287
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile
CID 64725366
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
CID 64802111
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
CID 64728036
2-methyl-2-(methylamino)-4-octoxypentanenitrile
CID 64728157
2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
CID 64726379
2-(cyclopropylamino)-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 64725488

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile (CID 64726414) is 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile is CCCOC(C)CC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile?
The InChIKey is CGOTUOTYRHFFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-15-10(2)8-12(3,9-13)14-11-5-6-11/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile?
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile is sourced from PubChem (CID 64726414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).