2-ethyl-1-methylbicyclo[3.1.1]heptane

C10H18 — CID 147397707

IUPAC2-ethyl-1-methylbicyclo[3.1.1]heptane
SMILESCCC1CCC2CC1(C)C2
InChIInChI=1S/C10H18/c1-3-9-5-4-8-6-10(9,2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyMJTLFSKVPJQRQY-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds1

About 2-ethyl-1-methylbicyclo[3.1.1]heptane

2-ethyl-1-methylbicyclo[3.1.1]heptane (PubChem CID 147397707) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-ethyl-1-methylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-ethyl-1-methylbicyclo[3.1.1]heptane
PubChem CID147397707
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-ethyl-1-methylbicyclo[3.1.1]heptane
SMILESCCC1CCC2CC1(C)C2
InChIInChI=1S/C10H18/c1-3-9-5-4-8-6-10(9,2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyMJTLFSKVPJQRQY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123140222
1-amino-2-ethylcyclopropan-1-ol
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(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
1-(cyclopropylmethyl)-2-ethylcyclopropan-1-ol
CID 79333627
CID 173483395
CID 173483395
(1R,3aS,6aR)-6-ethyl-6a-hydroxy-3,3-dimethyl-1,2,3a,4,5,6-hexahydropentalene-1-carbonitrile
CID 164684528
2,5-diethyl-6,9-dimethyl-7,10-diazabicyclo[4.3.1]decane
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylbicyclo[3.1.1]heptane?
The IUPAC name of 2-ethyl-1-methylbicyclo[3.1.1]heptane (CID 147397707) is 2-ethyl-1-methylbicyclo[3.1.1]heptane.
What is the SMILES notation for 2-ethyl-1-methylbicyclo[3.1.1]heptane?
The canonical SMILES for 2-ethyl-1-methylbicyclo[3.1.1]heptane is CCC1CCC2CC1(C)C2.
What is the InChIKey of 2-ethyl-1-methylbicyclo[3.1.1]heptane?
The InChIKey is MJTLFSKVPJQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-9-5-4-8-6-10(9,2)7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-1-methylbicyclo[3.1.1]heptane?
2-ethyl-1-methylbicyclo[3.1.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylbicyclo[3.1.1]heptane is sourced from PubChem (CID 147397707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).