3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile

C15H23N3 — CID 43284304

IUPAC3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile
SMILESCCCNC(C)c1ccccc1N(C)CCC#N
InChIInChI=1S/C15H23N3/c1-4-11-17-13(2)14-8-5-6-9-15(14)18(3)12-7-10-16/h5-6,8-9,13,17H,4,7,11-12H2,1-3H3
InChIKeyUAWOBGBYAOYCRY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.10
Rot. Bonds7

About 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile

3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile (PubChem CID 43284304) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile.

Molecular Properties

Compound Name3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile
PubChem CID43284304
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile
SMILESCCCNC(C)c1ccccc1N(C)CCC#N
InChIInChI=1S/C15H23N3/c1-4-11-17-13(2)14-8-5-6-9-15(14)18(3)12-7-10-16/h5-6,8-9,13,17H,4,7,11-12H2,1-3H3
InChIKeyUAWOBGBYAOYCRY-UHFFFAOYSA-N
XLogP3.10
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
N-benzyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284092
3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
CID 83122548
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
N-ethyl-N-phenyl-2-[1-(propylamino)ethyl]aniline
CID 43284277
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
3-[1-(2-methoxyphenyl)ethylamino]propanenitrile
CID 43183181
4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
CID 113499650
N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
CID 43283869

Frequently Asked Questions

What is the IUPAC name of 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile?
The IUPAC name of 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile (CID 43284304) is 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile.
What is the SMILES notation for 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile?
The canonical SMILES for 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile is CCCNC(C)c1ccccc1N(C)CCC#N.
What is the InChIKey of 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile?
The InChIKey is UAWOBGBYAOYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-11-17-13(2)14-8-5-6-9-15(14)18(3)12-7-10-16/h5-6,8-9,13,17H,4,7,11-12H2,1-3H3.
What are the key properties of 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile?
3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile has a molecular weight of 245.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile is sourced from PubChem (CID 43284304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).