5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine

C15H24ClN3 — CID 55059386

IUPAC5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1ccc(Cl)c(CNC2CC2)n1
InChIInChI=1S/C15H24ClN3/c1-4-12(5-2)19(3)15-9-8-13(16)14(18-15)10-17-11-6-7-11/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyUJJPVGOVHPXREL-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.61
Rot. Bonds7

About 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine

5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine (PubChem CID 55059386) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
PubChem CID55059386
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1ccc(Cl)c(CNC2CC2)n1
InChIInChI=1S/C15H24ClN3/c1-4-12(5-2)19(3)15-9-8-13(16)14(18-15)10-17-11-6-7-11/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyUJJPVGOVHPXREL-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283603
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281993
5-chloro-N-(1-cyclopropylethyl)-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62282227
5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine
CID 78987726
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62293193
5-chloro-N-cyclohexyl-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285473
2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 43571414
5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62282594
N-[[3-chloro-6-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503041
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 105072999
N-[[3-chloro-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82006269
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylaminomethyl)pyridin-2-amine
CID 63938138

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine (CID 55059386) is 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(C)c1ccc(Cl)c(CNC2CC2)n1.
What is the InChIKey of 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine?
The InChIKey is UJJPVGOVHPXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-4-12(5-2)19(3)15-9-8-13(16)14(18-15)10-17-11-6-7-11/h8-9,11-12,17H,4-7,10H2,1-3H3.
What are the key properties of 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine?
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 55059386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).