2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane

C11H24N2 — CID 145162242

IUPAC2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane
SMILESCC.CCN1CC2CC1CN2CC
InChIInChI=1S/C9H18N2.C2H6/c1-3-10-6-9-5-8(10)7-11(9)4-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyVSAVTEAVBDPGRP-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.81
Rot. Bonds2

About 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane

2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane (PubChem CID 145162242) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane.

Molecular Properties

Compound Name2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane
PubChem CID145162242
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane
SMILESCC.CCN1CC2CC1CN2CC
InChIInChI=1S/C9H18N2.C2H6/c1-3-10-6-9-5-8(10)7-11(9)4-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyVSAVTEAVBDPGRP-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine
CID 159502003
(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane
CID 146942444
ethane;2-ethyl-2-azabicyclo[2.2.1]heptane
CID 172608634
(1S,4S)-2-ethyl-5-[(1-iodopiperidin-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 165137131
6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane
CID 121451791
(1S,4S)-2-(1-tert-butylpiperidin-4-yl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
CID 171736034
butane;1-[(1R)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one
CID 168923287
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
bis(2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane);3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane;6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 160879752
2-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-methylpyrimidin-4-amine
CID 171430479
(1R,5S)-6-ethyl-2-oxa-6-azabicyclo[3.2.1]octane
CID 177187093
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane?
The IUPAC name of 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane (CID 145162242) is 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane.
What is the SMILES notation for 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane?
The canonical SMILES for 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane is CC.CCN1CC2CC1CN2CC.
What is the InChIKey of 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane?
The InChIKey is VSAVTEAVBDPGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-3-10-6-9-5-8(10)7-11(9)4-2;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane?
2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane has a molecular weight of 184.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane is sourced from PubChem (CID 145162242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).