4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine

C12H20ClN3 — CID 114925467

IUPAC4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1cc(CN)c(Cl)cn1
InChIInChI=1S/C12H20ClN3/c1-4-9(2)8-16(3)12-5-10(6-14)11(13)7-15-12/h5,7,9H,4,6,8,14H2,1-3H3
InChIKeyNPDLHRGNHSYBNZ-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.68
Rot. Bonds5

About 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine

4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine (PubChem CID 114925467) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
PubChem CID114925467
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1cc(CN)c(Cl)cn1
InChIInChI=1S/C12H20ClN3/c1-4-9(2)8-16(3)12-5-10(6-14)11(13)7-15-12/h5,7,9H,4,6,8,14H2,1-3H3
InChIKeyNPDLHRGNHSYBNZ-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.68
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
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925468
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
4-(aminomethyl)-5-chloro-N-cyclopropyl-N-methylpyridin-2-amine
CID 114925351
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
5-(aminomethyl)-N,2-dimethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81248991
4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925259
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 114926756
5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 114920911
6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62298768
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 114926094
4-(aminomethyl)-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114926791

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine (CID 114925467) is 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine is CCC(C)CN(C)c1cc(CN)c(Cl)cn1.
What is the InChIKey of 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The InChIKey is NPDLHRGNHSYBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-9(2)8-16(3)12-5-10(6-14)11(13)7-15-12/h5,7,9H,4,6,8,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 114925467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).