N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine

C18H31N3 — CID 62287919

IUPACN-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCC(C)CNCc1cc(N(C)C2CCCCC2C)ccn1
InChIInChI=1S/C18H31N3/c1-14(2)12-19-13-16-11-17(9-10-20-16)21(4)18-8-6-5-7-15(18)3/h9-11,14-15,18-19H,5-8,12-13H2,1-4H3
InChIKeyFZVQPGHPMJHJLV-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.84
Rot. Bonds6

About N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine

N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine (PubChem CID 62287919) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine
PubChem CID62287919
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCC(C)CNCc1cc(N(C)C2CCCCC2C)ccn1
InChIInChI=1S/C18H31N3/c1-14(2)12-19-13-16-11-17(9-10-20-16)21(4)18-8-6-5-7-15(18)3/h9-11,14-15,18-19H,5-8,12-13H2,1-4H3
InChIKeyFZVQPGHPMJHJLV-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine (CID 62287919) is N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine is CC(C)CNCc1cc(N(C)C2CCCCC2C)ccn1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The InChIKey is FZVQPGHPMJHJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14(2)12-19-13-16-11-17(9-10-20-16)21(4)18-8-6-5-7-15(18)3/h9-11,14-15,18-19H,5-8,12-13H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 62287919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).