5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

C14H24ClN3 — CID 62279898

IUPAC5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)CN(C)c1ccc(Cl)c(CNC(C)C)n1
InChIInChI=1S/C14H24ClN3/c1-10(2)9-18(5)14-7-6-12(15)13(17-14)8-16-11(3)4/h6-7,10-11,16H,8-9H2,1-5H3
InChIKeySFFLDIICMRWIMI-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.33
Rot. Bonds6

About 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62279898) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62279898
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)CN(C)c1ccc(Cl)c(CNC(C)C)n1
InChIInChI=1S/C14H24ClN3/c1-10(2)9-18(5)14-7-6-12(15)13(17-14)8-16-11(3)4/h6-7,10-11,16H,8-9H2,1-5H3
InChIKeySFFLDIICMRWIMI-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62279898) is 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)CN(C)c1ccc(Cl)c(CNC(C)C)n1.
What is the InChIKey of 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is SFFLDIICMRWIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-10(2)9-18(5)14-7-6-12(15)13(17-14)8-16-11(3)4/h6-7,10-11,16H,8-9H2,1-5H3.
What are the key properties of 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62279898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).