N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine

C15H25N3O — CID 115308891

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NC2(CN)CCCCC2C)n1
InChIInChI=1S/C15H25N3O/c1-3-19-14-9-6-8-13(17-14)18-15(11-16)10-5-4-7-12(15)2/h6,8-9,12H,3-5,7,10-11,16H2,1-2H3,(H,17,18)
InChIKeyHVYLTPTUHSMPRO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine (PubChem CID 115308891) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine
PubChem CID115308891
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NC2(CN)CCCCC2C)n1
InChIInChI=1S/C15H25N3O/c1-3-19-14-9-6-8-13(17-14)18-15(11-16)10-5-4-7-12(15)2/h6,8-9,12H,3-5,7,10-11,16H2,1-2H3,(H,17,18)
InChIKeyHVYLTPTUHSMPRO-UHFFFAOYSA-N
XLogP2.80
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine (CID 115308891) is N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine is CCOc1cccc(NC2(CN)CCCCC2C)n1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine?
The InChIKey is HVYLTPTUHSMPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-14-9-6-8-13(17-14)18-15(11-16)10-5-4-7-12(15)2/h6,8-9,12H,3-5,7,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-ethoxypyridin-2-amine is sourced from PubChem (CID 115308891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).