N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine

C14H31N3 — CID 784115

IUPACN',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)C1CCN(CC)CC1
InChIInChI=1S/C14H31N3/c1-5-16(6-2)13-12-15(4)14-8-10-17(7-3)11-9-14/h14H,5-13H2,1-4H3
InChIKeyNZOBTXPQEBGYPU-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.74
Rot. Bonds7

About N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine

N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine (PubChem CID 784115) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
PubChem CID784115
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)C1CCN(CC)CC1
InChIInChI=1S/C14H31N3/c1-5-16(6-2)13-12-15(4)14-8-10-17(7-3)11-9-14/h14H,5-13H2,1-4H3
InChIKeyNZOBTXPQEBGYPU-UHFFFAOYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine (CID 784115) is N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine is CCN(CC)CCN(C)C1CCN(CC)CC1.
What is the InChIKey of N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is NZOBTXPQEBGYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-16(6-2)13-12-15(4)14-8-10-17(7-3)11-9-14/h14H,5-13H2,1-4H3.
What are the key properties of N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine?
N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 784115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).