2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine

C17H36N2 — CID 63495294

IUPAC2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CN1CCC(CC)(CC)CC1
InChIInChI=1S/C17H36N2/c1-6-9-16(4,14-18-5)15-19-12-10-17(7-2,8-3)11-13-19/h18H,6-15H2,1-5H3
InChIKeyUJJPMBVZXPPJDC-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine

2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine (PubChem CID 63495294) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
PubChem CID63495294
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)CN1CCC(CC)(CC)CC1
InChIInChI=1S/C17H36N2/c1-6-9-16(4,14-18-5)15-19-12-10-17(7-2,8-3)11-13-19/h18H,6-15H2,1-5H3
InChIKeyUJJPMBVZXPPJDC-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63494161
2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 65281633
2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
CID 62262452
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63159648
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673
2-[(4,4-diethylpiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 63159996
1-[2-(ethylaminomethyl)-2-methylpentyl]-4-methylpiperidin-4-ol
CID 81116201
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63151603
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-2-ol
CID 63159462
1-[2-methyl-2-(methylaminomethyl)pentyl]piperidin-3-ol
CID 62260870
3-[(4,4-diethylpiperidin-1-yl)methyl]pentan-3-ol
CID 114495612
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 107459397

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine (CID 63495294) is 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)CN1CCC(CC)(CC)CC1.
What is the InChIKey of 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine?
The InChIKey is UJJPMBVZXPPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-9-16(4,14-18-5)15-19-12-10-17(7-2,8-3)11-13-19/h18H,6-15H2,1-5H3.
What are the key properties of 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine?
2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-diethylpiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 63495294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).