2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile

C17H33N3 — CID 83062285

IUPAC2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
SMILESCCCC1CCCCN1CCCC(C)(C#N)NC(C)C
InChIInChI=1S/C17H33N3/c1-5-9-16-10-6-7-12-20(16)13-8-11-17(4,14-18)19-15(2)3/h15-16,19H,5-13H2,1-4H3
InChIKeyPZIPRWYJDAGQRH-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.70
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile

2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile (PubChem CID 83062285) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
PubChem CID83062285
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
SMILESCCCC1CCCCN1CCCC(C)(C#N)NC(C)C
InChIInChI=1S/C17H33N3/c1-5-9-16-10-6-7-12-20(16)13-8-11-17(4,14-18)19-15(2)3/h15-16,19H,5-13H2,1-4H3
InChIKeyPZIPRWYJDAGQRH-UHFFFAOYSA-N
XLogP3.70
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062210
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
2-ethyl-2-(ethylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 106803943
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83061908
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
CID 106802748
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
1-pentyl-2-propylpiperidine
CID 54429991
N-propan-2-yl-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061777
5-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 55157283
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
2-(ethylamino)-2-methyl-6-(2-propylpiperidin-1-yl)hexan-1-ol
CID 83056941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile (CID 83062285) is 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile is CCCC1CCCCN1CCCC(C)(C#N)NC(C)C.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
The InChIKey is PZIPRWYJDAGQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-9-16-10-6-7-12-20(16)13-8-11-17(4,14-18)19-15(2)3/h15-16,19H,5-13H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile?
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 83062285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).