4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine

C15H25N3 — CID 105072999

IUPAC4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
SMILESCCC(CC)N(C)c1cnccc1CNC1CC1
InChIInChI=1S/C15H25N3/c1-4-14(5-2)18(3)15-11-16-9-8-12(15)10-17-13-6-7-13/h8-9,11,13-14,17H,4-7,10H2,1-3H3
InChIKeyVFMZAAIVLGIDTF-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.96
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine

4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine (PubChem CID 105072999) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
PubChem CID105072999
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
SMILESCCC(CC)N(C)c1cnccc1CNC1CC1
InChIInChI=1S/C15H25N3/c1-4-14(5-2)18(3)15-11-16-9-8-12(15)10-17-13-6-7-13/h8-9,11,13-14,17H,4-7,10H2,1-3H3
InChIKeyVFMZAAIVLGIDTF-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112665329
2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 43571414
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 105074166
4-[(cyclopropylamino)methyl]-N-ethyl-N-(4-methylphenyl)pyridin-3-amine
CID 105073338
4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 105073452
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81247877
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81246080
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine (CID 105072999) is 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine is CCC(CC)N(C)c1cnccc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine?
The InChIKey is VFMZAAIVLGIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-14(5-2)18(3)15-11-16-9-8-12(15)10-17-13-6-7-13/h8-9,11,13-14,17H,4-7,10H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine?
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine is sourced from PubChem (CID 105072999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).