N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine

C14H24N4 — CID 116976203

IUPACN-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C14H24N4/c1-11(2)13-9-16-14(17-10-13)18-6-4-12(5-7-18)8-15-3/h9-12,15H,4-8H2,1-3H3
InChIKeyBOQASYQFAMTPOS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine

N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine (PubChem CID 116976203) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
PubChem CID116976203
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C14H24N4/c1-11(2)13-9-16-14(17-10-13)18-6-4-12(5-7-18)8-15-3/h9-12,15H,4-8H2,1-3H3
InChIKeyBOQASYQFAMTPOS-UHFFFAOYSA-N
XLogP2.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine (CID 116976203) is N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine is CNCC1CCN(c2ncc(C(C)C)cn2)CC1.
What is the InChIKey of N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine?
The InChIKey is BOQASYQFAMTPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)13-9-16-14(17-10-13)18-6-4-12(5-7-18)8-15-3/h9-12,15H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine?
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 116976203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).