2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine

C16H34N2 — CID 80557657

IUPAC2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
SMILESCCCCCC(C)(CN)N1CCC(CCC)CC1
InChIInChI=1S/C16H34N2/c1-4-6-7-11-16(3,14-17)18-12-9-15(8-5-2)10-13-18/h15H,4-14,17H2,1-3H3
InChIKeyGFWLWWUQOZLLDX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.80
Rot. Bonds8

About 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine

2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine (PubChem CID 80557657) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
PubChem CID80557657
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
SMILESCCCCCC(C)(CN)N1CCC(CCC)CC1
InChIInChI=1S/C16H34N2/c1-4-6-7-11-16(3,14-17)18-12-9-15(8-5-2)10-13-18/h15H,4-14,17H2,1-3H3
InChIKeyGFWLWWUQOZLLDX-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.80
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 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine?
The IUPAC name of 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine (CID 80557657) is 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine?
The canonical SMILES for 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine is CCCCCC(C)(CN)N1CCC(CCC)CC1.
What is the InChIKey of 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine?
The InChIKey is GFWLWWUQOZLLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-6-7-11-16(3,14-17)18-12-9-15(8-5-2)10-13-18/h15H,4-14,17H2,1-3H3.
What are the key properties of 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine?
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine is sourced from PubChem (CID 80557657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).