2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile

C15H29N3 — CID 106802975

IUPAC2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
SMILESCCN(CCCC(C#N)(CC)NC1CC1)C(C)C
InChIInChI=1S/C15H29N3/c1-5-15(12-16,17-14-8-9-14)10-7-11-18(6-2)13(3)4/h13-14,17H,5-11H2,1-4H3
InChIKeyTYIDPVNQZKRCIU-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.92
Rot. Bonds9

About 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile

2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile (PubChem CID 106802975) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
PubChem CID106802975
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
SMILESCCN(CCCC(C#N)(CC)NC1CC1)C(C)C
InChIInChI=1S/C15H29N3/c1-5-15(12-16,17-14-8-9-14)10-7-11-18(6-2)13(3)4/h13-14,17H,5-11H2,1-4H3
InChIKeyTYIDPVNQZKRCIU-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078
2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
CID 106805271
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile
CID 106804902
2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile
CID 106803521
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106804057
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
CID 106804019
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 106803158

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile (CID 106802975) is 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile is CCN(CCCC(C#N)(CC)NC1CC1)C(C)C.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile?
The InChIKey is TYIDPVNQZKRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-15(12-16,17-14-8-9-14)10-7-11-18(6-2)13(3)4/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile?
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 106802975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).