N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine

C16H27N3 — CID 62208080

IUPACN-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine
SMILESCCNc1ccc(CN(C)C2CCCCC2C)cn1
InChIInChI=1S/C16H27N3/c1-4-17-16-10-9-14(11-18-16)12-19(3)15-8-6-5-7-13(15)2/h9-11,13,15H,4-8,12H2,1-3H3,(H,17,18)
InChIKeyNFSXYAONJPZJJR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.52
Rot. Bonds5

About N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine

N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine (PubChem CID 62208080) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine
PubChem CID62208080
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine
SMILESCCNc1ccc(CN(C)C2CCCCC2C)cn1
InChIInChI=1S/C16H27N3/c1-4-17-16-10-9-14(11-18-16)12-19(3)15-8-6-5-7-13(15)2/h9-11,13,15H,4-8,12H2,1-3H3,(H,17,18)
InChIKeyNFSXYAONJPZJJR-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine (CID 62208080) is N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine is CCNc1ccc(CN(C)C2CCCCC2C)cn1.
What is the InChIKey of N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine?
The InChIKey is NFSXYAONJPZJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-17-16-10-9-14(11-18-16)12-19(3)15-8-6-5-7-13(15)2/h9-11,13,15H,4-8,12H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine?
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 62208080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).