6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine

C12H18ClN3 — CID 63866672

IUPAC6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
SMILESCC1CC1CN(C)c1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H18ClN3/c1-8-5-9(8)7-16(2)12-4-3-10(13)11(6-14)15-12/h3-4,8-9H,5-7,14H2,1-2H3
InChIKeyGOWJMNWTNHIFOK-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.29
Rot. Bonds4

About 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine

6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine (PubChem CID 63866672) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
PubChem CID63866672
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
SMILESCC1CC1CN(C)c1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H18ClN3/c1-8-5-9(8)7-16(2)12-4-3-10(13)11(6-14)15-12/h3-4,8-9H,5-7,14H2,1-2H3
InChIKeyGOWJMNWTNHIFOK-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine (CID 63866672) is 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine is CC1CC1CN(C)c1ccc(Cl)c(CN)n1.
What is the InChIKey of 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The InChIKey is GOWJMNWTNHIFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-5-9(8)7-16(2)12-4-3-10(13)11(6-14)15-12/h3-4,8-9H,5-7,14H2,1-2H3.
What are the key properties of 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine is sourced from PubChem (CID 63866672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).