3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile

C15H24N4 — CID 112584090

IUPAC3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
SMILESCCCNC(CC)c1ccc(N(C)CCC#N)cn1
InChIInChI=1S/C15H24N4/c1-4-10-17-14(5-2)15-8-7-13(12-18-15)19(3)11-6-9-16/h7-8,12,14,17H,4-6,10-11H2,1-3H3
InChIKeyFXBWUOUXQZEJSB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.88
Rot. Bonds8

About 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile

3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile (PubChem CID 112584090) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
PubChem CID112584090
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
SMILESCCCNC(CC)c1ccc(N(C)CCC#N)cn1
InChIInChI=1S/C15H24N4/c1-4-10-17-14(5-2)15-8-7-13(12-18-15)19(3)11-6-9-16/h7-8,12,14,17H,4-6,10-11H2,1-3H3
InChIKeyFXBWUOUXQZEJSB-UHFFFAOYSA-N
XLogP2.88
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122548
N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939346
3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584248
N-cyclopropyl-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584130
3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
CID 83131425
N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939352
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
N-cyclopropyl-N-propyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939237
2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122014
6-[1-(ethylamino)propyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-3-amine
CID 115939736

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile (CID 112584090) is 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile is CCCNC(CC)c1ccc(N(C)CCC#N)cn1.
What is the InChIKey of 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile?
The InChIKey is FXBWUOUXQZEJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-10-17-14(5-2)15-8-7-13(12-18-15)19(3)11-6-9-16/h7-8,12,14,17H,4-6,10-11H2,1-3H3.
What are the key properties of 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile?
3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile has a molecular weight of 260.38 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile is sourced from PubChem (CID 112584090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).