(6-methyl-1-octylpiperidin-3-yl)methanamine

C15H32N2 — CID 55211233

IUPAC(6-methyl-1-octylpiperidin-3-yl)methanamine
SMILESCCCCCCCCN1CC(CN)CCC1C
InChIInChI=1S/C15H32N2/c1-3-4-5-6-7-8-11-17-13-15(12-16)10-9-14(17)2/h14-15H,3-13,16H2,1-2H3
InChIKeySCQQTQNXDYSMNK-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.41
Rot. Bonds8

About (6-methyl-1-octylpiperidin-3-yl)methanamine

(6-methyl-1-octylpiperidin-3-yl)methanamine (PubChem CID 55211233) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is (6-methyl-1-octylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(6-methyl-1-octylpiperidin-3-yl)methanamine
PubChem CID55211233
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name(6-methyl-1-octylpiperidin-3-yl)methanamine
SMILESCCCCCCCCN1CC(CN)CCC1C
InChIInChI=1S/C15H32N2/c1-3-4-5-6-7-8-11-17-13-15(12-16)10-9-14(17)2/h14-15H,3-13,16H2,1-2H3
InChIKeySCQQTQNXDYSMNK-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-octylpiperidin-3-yl)methanamine?
The IUPAC name of (6-methyl-1-octylpiperidin-3-yl)methanamine (CID 55211233) is (6-methyl-1-octylpiperidin-3-yl)methanamine.
What is the SMILES notation for (6-methyl-1-octylpiperidin-3-yl)methanamine?
The canonical SMILES for (6-methyl-1-octylpiperidin-3-yl)methanamine is CCCCCCCCN1CC(CN)CCC1C.
What is the InChIKey of (6-methyl-1-octylpiperidin-3-yl)methanamine?
The InChIKey is SCQQTQNXDYSMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-3-4-5-6-7-8-11-17-13-15(12-16)10-9-14(17)2/h14-15H,3-13,16H2,1-2H3.
What are the key properties of (6-methyl-1-octylpiperidin-3-yl)methanamine?
(6-methyl-1-octylpiperidin-3-yl)methanamine has a molecular weight of 240.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-octylpiperidin-3-yl)methanamine is sourced from PubChem (CID 55211233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).