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

C14H22N4 — CID 83122548

IUPAC3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
SMILESCCCNC(C)c1ccc(N(C)CCC#N)cn1
InChIInChI=1S/C14H22N4/c1-4-9-16-12(2)14-7-6-13(11-17-14)18(3)10-5-8-15/h6-7,11-12,16H,4-5,9-10H2,1-3H3
InChIKeyWHQQPAMORHAPKT-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.49
Rot. Bonds7

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

3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile (PubChem CID 83122548) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
PubChem CID83122548
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
SMILESCCCNC(C)c1ccc(N(C)CCC#N)cn1
InChIInChI=1S/C14H22N4/c1-4-9-16-12(2)14-7-6-13(11-17-14)18(3)10-5-8-15/h6-7,11-12,16H,4-5,9-10H2,1-3H3
InChIKeyWHQQPAMORHAPKT-UHFFFAOYSA-N
XLogP2.49
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
CID 112584090
2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122014
3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
CID 83131425
3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123154
3-[ethyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]-2-methylpropanenitrile
CID 83122845
N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939346
3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile
CID 43284304
N-(2-ethoxyethyl)-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
CID 83127164
2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
CID 103189382
6-[1-(ethylamino)ethyl]-N-methyl-N-(2-propan-2-yloxyethyl)pyridin-3-amine
CID 83127484
N,N,N'-trimethyl-N'-[6-[1-(methylamino)ethyl]-3-pyridinyl]ethane-1,2-diamine
CID 83127627

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile (CID 83122548) is 3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile is CCCNC(C)c1ccc(N(C)CCC#N)cn1.
What is the InChIKey of 3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile?
The InChIKey is WHQQPAMORHAPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-9-16-12(2)14-7-6-13(11-17-14)18(3)10-5-8-15/h6-7,11-12,16H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile?
3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.49, 7 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)ethyl]-3-pyridinyl]amino]propanenitrile is sourced from PubChem (CID 83122548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).