4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine

C16H34N2 — CID 63160182

IUPAC4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCCC1(C)CCN(CCCCNCC(C)C)CC1
InChIInChI=1S/C16H34N2/c1-5-16(4)8-12-18(13-9-16)11-7-6-10-17-14-15(2)3/h15,17H,5-14H2,1-4H3
InChIKeyJDMQJFNUYPYBIV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine

4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 63160182) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID63160182
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCCC1(C)CCN(CCCCNCC(C)C)CC1
InChIInChI=1S/C16H34N2/c1-5-16(4)8-12-18(13-9-16)11-7-6-10-17-14-15(2)3/h15,17H,5-14H2,1-4H3
InChIKeyJDMQJFNUYPYBIV-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 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 ≤ 53.52
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-(2-methylpropyl)pentan-1-amine
CID 62930484
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
5-(4-ethyl-4-methylpiperidin-1-yl)-N-methylpentan-2-amine
CID 63160676
5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 63157135
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
5-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-ethylpentan-1-amine
CID 107456090

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 63160182) is 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine is CCC1(C)CCN(CCCCNCC(C)C)CC1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is JDMQJFNUYPYBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-16(4)8-12-18(13-9-16)11-7-6-10-17-14-15(2)3/h15,17H,5-14H2,1-4H3.
What are the key properties of 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63160182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).