5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine

C15H24ClN3 — CID 114925468

IUPAC5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C15H24ClN3/c1-4-11(2)10-19(3)15-7-12(14(16)9-18-15)8-17-13-5-6-13/h7,9,11,13,17H,4-6,8,10H2,1-3H3
InChIKeyBDTJQASVFSTVJB-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.47
Rot. Bonds7

About 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine

5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine (PubChem CID 114925468) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
PubChem CID114925468
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C15H24ClN3/c1-4-11(2)10-19(3)15-7-12(14(16)9-18-15)8-17-13-5-6-13/h7,9,11,13,17H,4-6,8,10H2,1-3H3
InChIKeyBDTJQASVFSTVJB-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925475
2-N-[5-chloro-4-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191574
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925467
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 114926757
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114926419
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81149641
5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 114925517
5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401902
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 114925792

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine (CID 114925468) is 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine is CCC(C)CN(C)c1cc(CNC2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The InChIKey is BDTJQASVFSTVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-4-11(2)10-19(3)15-7-12(14(16)9-18-15)8-17-13-5-6-13/h7,9,11,13,17H,4-6,8,10H2,1-3H3.
What are the key properties of 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 114925468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).