2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane

C10H20N2 — CID 155599374

IUPAC2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane
SMILESCCN1CCN(C(C)C)C2CC21
InChIInChI=1S/C10H20N2/c1-4-11-5-6-12(8(2)3)10-7-9(10)11/h8-10H,4-7H2,1-3H3
InChIKeyQMCHJPOVDJFPNQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.17
Rot. Bonds2

About 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane

2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane (PubChem CID 155599374) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane
PubChem CID155599374
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane
SMILESCCN1CCN(C(C)C)C2CC21
InChIInChI=1S/C10H20N2/c1-4-11-5-6-12(8(2)3)10-7-9(10)11/h8-10H,4-7H2,1-3H3
InChIKeyQMCHJPOVDJFPNQ-UHFFFAOYSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane
CID 170634147
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
(2R,4S)-2-cyclopropyl-1,4-di(propan-2-yl)piperidine
CID 174295504
2-fluoro-1,3-di(propan-2-yl)imidazolidine
CID 70243177
4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine
CID 167076354
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
CID 70790415
(2S)-2-(difluoromethyl)-4-ethyl-1-propan-2-ylpiperazine
CID 176559353
2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane
CID 155044597
1,3-diethyl-2-fluoroimidazolidine;hydrochloride
CID 173248152
2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 145162242
4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 89228890
(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane
CID 172575447

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane?
The IUPAC name of 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane (CID 155599374) is 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane?
The canonical SMILES for 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane is CCN1CCN(C(C)C)C2CC21.
What is the InChIKey of 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane?
The InChIKey is QMCHJPOVDJFPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-11-5-6-12(8(2)3)10-7-9(10)11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane?
2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane has a molecular weight of 168.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane is sourced from PubChem (CID 155599374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).