3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine

C14H30N2 — CID 63160587

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCN1CCC(C)(CC)CC1
InChIInChI=1S/C14H30N2/c1-4-9-15-10-6-11-16-12-7-14(3,5-2)8-13-16/h15H,4-13H2,1-3H3
InChIKeyZSARSLLMADFQHM-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine

3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine (PubChem CID 63160587) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
PubChem CID63160587
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCN1CCC(C)(CC)CC1
InChIInChI=1S/C14H30N2/c1-4-9-15-10-6-11-16-12-7-14(3,5-2)8-13-16/h15H,4-13H2,1-3H3
InChIKeyZSARSLLMADFQHM-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
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

5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62930314
4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63160182
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 63163581
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 61386591
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63159863
5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 63157135
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
CID 61387216
5-(4-ethyl-4-methylpiperidin-1-yl)-N-methylpentan-2-amine
CID 63160676

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine (CID 63160587) is 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine is CCCNCCCN1CCC(C)(CC)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is ZSARSLLMADFQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-9-15-10-6-11-16-12-7-14(3,5-2)8-13-16/h15H,4-13H2,1-3H3.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine?
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63160587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).