5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine

C15H32N2 — CID 62930314

IUPAC5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCCCN1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-4-10-16-11-6-5-7-12-17-13-8-15(2,3)9-14-17/h16H,4-14H2,1-3H3
InChIKeyJQLUVVRUSDEDBT-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds8

About 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine

5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine (PubChem CID 62930314) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
PubChem CID62930314
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCCCN1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-4-10-16-11-6-5-7-12-17-13-8-15(2,3)9-14-17/h16H,4-14H2,1-3H3
InChIKeyJQLUVVRUSDEDBT-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 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 ≤ 53.28
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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Related Compounds

6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
1-hexyl-4,4-dimethylpiperidine
CID 18722930
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
N-propyl-5-thiomorpholin-4-ylpentan-1-amine
CID 62417898
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62932034
4,4-dimethyl-1-pentylazepane
CID 18723213
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
N-propyl-5-(1,4-thiazepan-4-yl)pentan-1-amine
CID 62412587
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine?
The IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine (CID 62930314) is 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine is CCCNCCCCCN1CCC(C)(C)CC1.
What is the InChIKey of 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine?
The InChIKey is JQLUVVRUSDEDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-10-16-11-6-5-7-12-17-13-8-15(2,3)9-14-17/h16H,4-14H2,1-3H3.
What are the key properties of 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine?
5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 62930314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).