2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile

C17H32N4 — CID 106803521

IUPAC2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile
SMILESCCC(C#N)(CCCN(C)C1CCCN(C)C1)NC1CC1
InChIInChI=1S/C17H32N4/c1-4-17(14-18,19-15-8-9-15)10-6-12-21(3)16-7-5-11-20(2)13-16/h15-16,19H,4-13H2,1-3H3
InChIKeyZBHFPCKIRBOLKL-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.22
Rot. Bonds8

About 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile

2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile (PubChem CID 106803521) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile
PubChem CID106803521
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile
SMILESCCC(C#N)(CCCN(C)C1CCCN(C)C1)NC1CC1
InChIInChI=1S/C17H32N4/c1-4-17(14-18,19-15-8-9-15)10-6-12-21(3)16-7-5-11-20(2)13-16/h15-16,19H,4-13H2,1-3H3
InChIKeyZBHFPCKIRBOLKL-UHFFFAOYSA-N
XLogP2.22
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106808673
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106803784
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
CID 106804019
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291
5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile (CID 106803521) is 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile is CCC(C#N)(CCCN(C)C1CCCN(C)C1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile?
The InChIKey is ZBHFPCKIRBOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-17(14-18,19-15-8-9-15)10-6-12-21(3)16-7-5-11-20(2)13-16/h15-16,19H,4-13H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile?
2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile has a molecular weight of 292.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile is sourced from PubChem (CID 106803521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).