5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H28ClN3 — CID 62283930

IUPAC5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC1CCCC(N(C)c2ccc(Cl)c(CNC(C)C)n2)C1
InChIInChI=1S/C17H28ClN3/c1-12(2)19-11-16-15(18)8-9-17(20-16)21(4)14-7-5-6-13(3)10-14/h8-9,12-14,19H,5-7,10-11H2,1-4H3
InChIKeyWNIIBQKVYDPVCV-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62283930) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62283930
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC1CCCC(N(C)c2ccc(Cl)c(CNC(C)C)n2)C1
InChIInChI=1S/C17H28ClN3/c1-12(2)19-11-16-15(18)8-9-17(20-16)21(4)14-7-5-6-13(3)10-14/h8-9,12-14,19H,5-7,10-11H2,1-4H3
InChIKeyWNIIBQKVYDPVCV-UHFFFAOYSA-N
XLogP4.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.25
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-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62283930) is 5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CC1CCCC(N(C)c2ccc(Cl)c(CNC(C)C)n2)C1.
What is the InChIKey of 5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is WNIIBQKVYDPVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-12(2)19-11-16-15(18)8-9-17(20-16)21(4)14-7-5-6-13(3)10-14/h8-9,12-14,19H,5-7,10-11H2,1-4H3.
What are the key properties of 5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 309.88 g/mol, XLogP of 4.25, 5 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-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62283930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).