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

C15H27N3O — CID 64728287

IUPAC2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile
SMILESCOCCN(C(C)CC(C)(C#N)NC1CC1)C1CC1
InChIInChI=1S/C15H27N3O/c1-12(18(8-9-19-3)14-6-7-14)10-15(2,11-16)17-13-4-5-13/h12-14,17H,4-10H2,1-3H3
InChIKeyJCBJMDNLXWYVEC-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.91
Rot. Bonds9

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

2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile (PubChem CID 64728287) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile
PubChem CID64728287
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile
SMILESCOCCN(C(C)CC(C)(C#N)NC1CC1)C1CC1
InChIInChI=1S/C15H27N3O/c1-12(18(8-9-19-3)14-6-7-14)10-15(2,11-16)17-13-4-5-13/h12-14,17H,4-10H2,1-3H3
InChIKeyJCBJMDNLXWYVEC-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylpentanenitrile
CID 64726687
2-(cyclopropylamino)-4-(2-methoxyethoxy)-2-methylpentanenitrile
CID 64727774
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
2-(cyclopropylamino)-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 64725488
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726891
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64711835
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propanenitrile
CID 63912492

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile (CID 64728287) is 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile is COCCN(C(C)CC(C)(C#N)NC1CC1)C1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile?
The InChIKey is JCBJMDNLXWYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(18(8-9-19-3)14-6-7-14)10-15(2,11-16)17-13-4-5-13/h12-14,17H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile?
2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile has a molecular weight of 265.40 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile is sourced from PubChem (CID 64728287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).