1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine

C11H25N2+ — CID 59107107

IUPAC1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine
SMILESCCCNC1CC(C)C[N+](C)(C)C1
InChIInChI=1S/C11H25N2/c1-5-6-12-11-7-10(2)8-13(3,4)9-11/h10-12H,5-9H2,1-4H3/q+1
InChIKeyCUTFTDQYZMSADN-UHFFFAOYSA-N
MW185.33 g/mol
LogP1.47
Rot. Bonds3

About 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine

1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine (PubChem CID 59107107) has the molecular formula C11H25N2+ and a molecular weight of 185.33 g/mol. Its IUPAC name is 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine.

Molecular Properties

Compound Name1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine
PubChem CID59107107
Molecular FormulaC11H25N2+
Molecular Weight185.33 g/mol
Exact Mass185.20
IUPAC Name1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine
SMILESCCCNC1CC(C)C[N+](C)(C)C1
InChIInChI=1S/C11H25N2/c1-5-6-12-11-7-10(2)8-13(3,4)9-11/h10-12H,5-9H2,1-4H3/q+1
InChIKeyCUTFTDQYZMSADN-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine 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 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine?
The IUPAC name of 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine (CID 59107107) is 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine.
What is the SMILES notation for 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine?
The canonical SMILES for 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine is CCCNC1CC(C)C[N+](C)(C)C1.
What is the InChIKey of 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine?
The InChIKey is CUTFTDQYZMSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2/c1-5-6-12-11-7-10(2)8-13(3,4)9-11/h10-12H,5-9H2,1-4H3/q+1.
What are the key properties of 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine?
1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine has a molecular weight of 185.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trimethyl-N-propylpiperidin-1-ium-3-amine is sourced from PubChem (CID 59107107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).