2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile

C16H31N3O — CID 64726687

IUPAC2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile
SMILESCOCCN(CC(C)C)C(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C16H31N3O/c1-13(2)11-19(8-9-20-5)14(3)10-16(4,12-17)18-15-6-7-15/h13-15,18H,6-11H2,1-5H3
InChIKeyIOTPHVDTTXKRMA-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.40
Rot. Bonds10

About 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile

2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile (PubChem CID 64726687) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile
PubChem CID64726687
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile
SMILESCOCCN(CC(C)C)C(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C16H31N3O/c1-13(2)11-19(8-9-20-5)14(3)10-16(4,12-17)18-15-6-7-15/h13-15,18H,6-11H2,1-5H3
InChIKeyIOTPHVDTTXKRMA-UHFFFAOYSA-N
XLogP2.40
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile
CID 64728287
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
CID 64727774
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
2-(cyclopropylamino)-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 64725488
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propanenitrile
CID 63912492
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727286
4-[ethyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64726664
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-(cyclopentylamino)-2,5-dimethylhexanenitrile
CID 61002466

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile (CID 64726687) is 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile is COCCN(CC(C)C)C(C)CC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile?
The InChIKey is IOTPHVDTTXKRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)11-19(8-9-20-5)14(3)10-16(4,12-17)18-15-6-7-15/h13-15,18H,6-11H2,1-5H3.
What are the key properties of 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile?
2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile has a molecular weight of 281.44 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile is sourced from PubChem (CID 64726687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).