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

C16H34N2 — CID 62259717

IUPACN,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
SMILESCCNCC(CC)(CC)CN1CCC(CC)CC1
InChIInChI=1S/C16H34N2/c1-5-15-9-11-18(12-10-15)14-16(6-2,7-3)13-17-8-4/h15,17H,5-14H2,1-4H3
InChIKeyFIMQKKSKYIKZOG-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

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

N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine (PubChem CID 62259717) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
PubChem CID62259717
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
SMILESCCNCC(CC)(CC)CN1CCC(CC)CC1
InChIInChI=1S/C16H34N2/c1-5-15-9-11-18(12-10-15)14-16(6-2,7-3)13-17-8-4/h15,17H,5-14H2,1-4H3
InChIKeyFIMQKKSKYIKZOG-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

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Related Compounds

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
CID 55056218
N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62257771
2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62259874
N,2-diethyl-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 62974610
N,2-diethyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 62270235
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine
CID 63494890
1-(2,2-difluorobutyl)-4-ethylpiperidine
CID 123670670
1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-4-ol
CID 62263890
N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
CID 62258867
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine (CID 62259717) is N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine is CCNCC(CC)(CC)CN1CCC(CC)CC1.
What is the InChIKey of N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine?
The InChIKey is FIMQKKSKYIKZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-15-9-11-18(12-10-15)14-16(6-2,7-3)13-17-8-4/h15,17H,5-14H2,1-4H3.
What are the key properties of N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine?
N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]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 N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 62259717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).