3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile

C15H22N4 — CID 62470702

IUPAC3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile
SMILESCCCNc1cc(CN(CCC#N)C2CC2)ccn1
InChIInChI=1S/C15H22N4/c1-2-8-17-15-11-13(6-9-18-15)12-19(10-3-7-16)14-4-5-14/h6,9,11,14H,2-5,8,10,12H2,1H3,(H,17,18)
InChIKeyNYPJUNSYGIKCDY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.78
Rot. Bonds8

About 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile

3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile (PubChem CID 62470702) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile
PubChem CID62470702
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile
SMILESCCCNc1cc(CN(CCC#N)C2CC2)ccn1
InChIInChI=1S/C15H22N4/c1-2-8-17-15-11-13(6-9-18-15)12-19(10-3-7-16)14-4-5-14/h6,9,11,14H,2-5,8,10,12H2,1H3,(H,17,18)
InChIKeyNYPJUNSYGIKCDY-UHFFFAOYSA-N
XLogP2.78
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075363
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
CID 63501562
4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63883631
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62471589
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636839
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
CID 63887449
2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol
CID 102870554
4-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471425
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile (CID 62470702) is 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile is CCCNc1cc(CN(CCC#N)C2CC2)ccn1.
What is the InChIKey of 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile?
The InChIKey is NYPJUNSYGIKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-8-17-15-11-13(6-9-18-15)12-19(10-3-7-16)14-4-5-14/h6,9,11,14H,2-5,8,10,12H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile?
3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile has a molecular weight of 258.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile is sourced from PubChem (CID 62470702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).