2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine

C14H30N2 — CID 62259874

IUPAC2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC1CCN(CC(C)(CC)CNC)CC1
InChIInChI=1S/C14H30N2/c1-5-13-7-9-16(10-8-13)12-14(3,6-2)11-15-4/h13,15H,5-12H2,1-4H3
InChIKeyRPIRDWIEIMZVBE-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine

2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 62259874) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID62259874
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC1CCN(CC(C)(CC)CNC)CC1
InChIInChI=1S/C14H30N2/c1-5-13-7-9-16(10-8-13)12-14(3,6-2)11-15-4/h13,15H,5-12H2,1-4H3
InChIKeyRPIRDWIEIMZVBE-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
CID 63494021
N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
CID 62259717
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63159648
N,2-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]butan-1-amine
CID 81200343
N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001
1-(2,2-difluorobutyl)-4-ethylpiperidine
CID 123670670
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 107459434
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 62271722
N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 62258109
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
CID 106837835
2-[(4-ethoxypiperidin-1-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62257768
2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
CID 62262452

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine (CID 62259874) is 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine is CCC1CCN(CC(C)(CC)CNC)CC1.
What is the InChIKey of 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is RPIRDWIEIMZVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13-7-9-16(10-8-13)12-14(3,6-2)11-15-4/h13,15H,5-12H2,1-4H3.
What are the key properties of 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine?
2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62259874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).