2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile

C18H35N3 — CID 106803501

IUPAC2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN1CCC(CCC)CC1
InChIInChI=1S/C18H35N3/c1-4-8-17-9-14-21(15-10-17)13-7-11-18(6-3,16-19)20-12-5-2/h17,20H,4-15H2,1-3H3
InChIKeySVVHUBXDAPBKTR-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.95
Rot. Bonds10

About 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile

2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile (PubChem CID 106803501) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
PubChem CID106803501
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN1CCC(CCC)CC1
InChIInChI=1S/C18H35N3/c1-4-8-17-9-14-21(15-10-17)13-7-11-18(6-3,16-19)20-12-5-2/h17,20H,4-15H2,1-3H3
InChIKeySVVHUBXDAPBKTR-UHFFFAOYSA-N
XLogP3.95
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[4-(methoxymethyl)piperidin-1-yl]-2-(propylamino)pentanenitrile
CID 106803718
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile
CID 106804074
5-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106804079
2-ethyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanenitrile
CID 106803549
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanenitrile
CID 106803746
2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 106803943
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
5-cyclohexylsulfanyl-2-ethyl-2-(propylamino)pentanenitrile
CID 106805261

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile (CID 106803501) is 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile is CCCNC(C#N)(CC)CCCN1CCC(CCC)CC1.
What is the InChIKey of 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile?
The InChIKey is SVVHUBXDAPBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-8-17-9-14-21(15-10-17)13-7-11-18(6-3,16-19)20-12-5-2/h17,20H,4-15H2,1-3H3.
What are the key properties of 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile?
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile has a molecular weight of 293.50 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 106803501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).