2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile

C17H25N3O — CID 64726650

IUPAC2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H25N3O/c1-13(11-17(2,12-18)19-14-8-9-14)21-16-7-5-6-15(10-16)20(3)4/h5-7,10,13-14,19H,8-9,11H2,1-4H3
InChIKeyHXKQKHYMGWEQQB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds7

About 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile

2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile (PubChem CID 64726650) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile
PubChem CID64726650
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H25N3O/c1-13(11-17(2,12-18)19-14-8-9-14)21-16-7-5-6-15(10-16)20(3)4/h5-7,10,13-14,19H,8-9,11H2,1-4H3
InChIKeyHXKQKHYMGWEQQB-UHFFFAOYSA-N
XLogP2.94
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
CID 64727774
3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
CID 62485952
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
2-methyl-4-(3-propan-2-ylphenoxy)-2-(propylamino)pentanenitrile
CID 64727995
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64728224
2-methyl-2-(methylamino)-4-(3-nitrophenoxy)pentanenitrile
CID 64726034
N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
CID 62485408
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64712154
2-methyl-4-phenoxy-2-(propylamino)pentanenitrile
CID 64725209

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile (CID 64726650) is 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile is CC(CC(C)(C#N)NC1CC1)Oc1cccc(N(C)C)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile?
The InChIKey is HXKQKHYMGWEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(11-17(2,12-18)19-14-8-9-14)21-16-7-5-6-15(10-16)20(3)4/h5-7,10,13-14,19H,8-9,11H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile?
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile has a molecular weight of 287.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile is sourced from PubChem (CID 64726650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).