2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile

C18H35N3 — CID 106802939

IUPAC2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
SMILESCCCCN(CCCC)CCCC(C#N)(CC)NC1CC1
InChIInChI=1S/C18H35N3/c1-4-7-13-21(14-8-5-2)15-9-12-18(6-3,16-19)20-17-10-11-17/h17,20H,4-15H2,1-3H3
InChIKeyNMTHEGVSMYDKHB-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.09
Rot. Bonds13

About 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile

2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile (PubChem CID 106802939) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
PubChem CID106802939
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
SMILESCCCCN(CCCC)CCCC(C#N)(CC)NC1CC1
InChIInChI=1S/C18H35N3/c1-4-7-13-21(14-8-5-2)15-9-12-18(6-3,16-19)20-17-10-11-17/h17,20H,4-15H2,1-3H3
InChIKeyNMTHEGVSMYDKHB-UHFFFAOYSA-N
XLogP4.09
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.09
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-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078
2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
CID 106805271
5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895
2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile
CID 106803521
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentanenitrile
CID 106804902
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
CID 106804019
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile (CID 106802939) is 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile is CCCCN(CCCC)CCCC(C#N)(CC)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile?
The InChIKey is NMTHEGVSMYDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-7-13-21(14-8-5-2)15-9-12-18(6-3,16-19)20-17-10-11-17/h17,20H,4-15H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile?
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile has a molecular weight of 293.50 g/mol, XLogP of 4.09, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile is sourced from PubChem (CID 106802939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).