1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane

C10H19N — CID 167001426

IUPAC1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane
SMILESCCC12CCC(C1)N2C(C)C
InChIInChI=1S/C10H19N/c1-4-10-6-5-9(7-10)11(10)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyPXLJXEHABKFDCV-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.41
Rot. Bonds2

About 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane

1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane (PubChem CID 167001426) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane
PubChem CID167001426
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane
SMILESCCC12CCC(C1)N2C(C)C
InChIInChI=1S/C10H19N/c1-4-10-6-5-9(7-10)11(10)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyPXLJXEHABKFDCV-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)acetonitrile
CID 176677519
1-[3-(2,5-dioxopyrrol-1-yl)-3-ethylcyclohexyl]pyrrole-2,5-dione
CID 68537647
3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine
CID 171831395
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole
CID 176677538
1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
ethane;2-(1-ethylcyclopropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156753885
[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 103497578
2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine
CID 176940990
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane
CID 163470074

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane (CID 167001426) is 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane is CCC12CCC(C1)N2C(C)C.
What is the InChIKey of 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane?
The InChIKey is PXLJXEHABKFDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-10-6-5-9(7-10)11(10)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane?
1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane has a molecular weight of 153.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 167001426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).