7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine

C15H32N2 — CID 80553700

IUPAC7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
SMILESCC(C)CCCCCCNCC1CCCNC1
InChIInChI=1S/C15H32N2/c1-14(2)8-5-3-4-6-10-16-12-15-9-7-11-17-13-15/h14-17H,3-13H2,1-2H3
InChIKeyYGYQGPOAAFEPND-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.18
Rot. Bonds9

About 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine

7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine (PubChem CID 80553700) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
PubChem CID80553700
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
SMILESCC(C)CCCCCCNCC1CCCNC1
InChIInChI=1S/C15H32N2/c1-14(2)8-5-3-4-6-10-16-12-15-9-7-11-17-13-15/h14-17H,3-13H2,1-2H3
InChIKeyYGYQGPOAAFEPND-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
5-methyl-N-(piperidin-3-ylmethyl)hexan-2-amine
CID 80553387
3-(3-methylbutyl)piperidine
CID 53409753
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
N-(piperidin-3-ylmethyl)-N'-(1,2,3,6-tetrahydropyridin-3-ylmethyl)butane-1,4-diamine
CID 5232197
N-(7-methyloctyl)piperidine-3-sulfonamide
CID 107816777
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine?
The IUPAC name of 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine (CID 80553700) is 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine.
What is the SMILES notation for 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine?
The canonical SMILES for 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine is CC(C)CCCCCCNCC1CCCNC1.
What is the InChIKey of 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine?
The InChIKey is YGYQGPOAAFEPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)8-5-3-4-6-10-16-12-15-9-7-11-17-13-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine?
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine is sourced from PubChem (CID 80553700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).