N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine

C15H25N3 — CID 55059522

IUPACN-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccnc(N(C)CC2CCCCC2)c1
InChIInChI=1S/C15H25N3/c1-16-11-14-8-9-17-15(10-14)18(2)12-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11-12H2,1-2H3
InChIKeyGDTHTBVAWWWGCW-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.82
Rot. Bonds5

About N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine

N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 55059522) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
PubChem CID55059522
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccnc(N(C)CC2CCCCC2)c1
InChIInChI=1S/C15H25N3/c1-16-11-14-8-9-17-15(10-14)18(2)12-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11-12H2,1-2H3
InChIKeyGDTHTBVAWWWGCW-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine (CID 55059522) is N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine is CNCc1ccnc(N(C)CC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is GDTHTBVAWWWGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-16-11-14-8-9-17-15(10-14)18(2)12-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11-12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 55059522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).