5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine

C13H28N2 — CID 115325988

IUPAC5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCC1CCCCN1
InChIInChI=1S/C13H28N2/c1-12(2)7-3-5-9-14-11-13-8-4-6-10-15-13/h12-15H,3-11H2,1-2H3
InChIKeyASEUDWGTLDRQBH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds7

About 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine

5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine (PubChem CID 115325988) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
PubChem CID115325988
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCC1CCCCN1
InChIInChI=1S/C13H28N2/c1-12(2)7-3-5-9-14-11-13-8-4-6-10-15-13/h12-15H,3-11H2,1-2H3
InChIKeyASEUDWGTLDRQBH-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
N-(azepan-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113327737
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
CID 106040479
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
5-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]hexan-1-amine
CID 115326087

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine (CID 115325988) is 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine is CC(C)CCCCNCC1CCCCN1.
What is the InChIKey of 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine?
The InChIKey is ASEUDWGTLDRQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)7-3-5-9-14-11-13-8-4-6-10-15-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine?
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 115325988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).