N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine

C16H27N3 — CID 81246363

IUPACN,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
SMILESCNCc1cnc(C)cc1N(C)C1CCCC(C)C1
InChIInChI=1S/C16H27N3/c1-12-6-5-7-15(8-12)19(4)16-9-13(2)18-11-14(16)10-17-3/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyRSXRLWKGJYWHEF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.12
Rot. Bonds4

About N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine

N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine (PubChem CID 81246363) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
PubChem CID81246363
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
SMILESCNCc1cnc(C)cc1N(C)C1CCCC(C)C1
InChIInChI=1S/C16H27N3/c1-12-6-5-7-15(8-12)19(4)16-9-13(2)18-11-14(16)10-17-3/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyRSXRLWKGJYWHEF-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine?
The IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine (CID 81246363) is N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine is CNCc1cnc(C)cc1N(C)C1CCCC(C)C1.
What is the InChIKey of N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine?
The InChIKey is RSXRLWKGJYWHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-6-5-7-15(8-12)19(4)16-9-13(2)18-11-14(16)10-17-3/h9,11-12,15,17H,5-8,10H2,1-4H3.
What are the key properties of N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine?
N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine is sourced from PubChem (CID 81246363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).