7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane

C10H19N — CID 130224209

IUPAC7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane
SMILESCCN1C2CCC1C(C)(C)C2
InChIInChI=1S/C10H19N/c1-4-11-8-5-6-9(11)10(2,3)7-8/h8-9H,4-7H2,1-3H3
InChIKeyWLMKPZFPNAEJMB-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds1

About 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane

7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane (PubChem CID 130224209) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane
PubChem CID130224209
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane
SMILESCCN1C2CCC1C(C)(C)C2
InChIInChI=1S/C10H19N/c1-4-11-8-5-6-9(11)10(2,3)7-8/h8-9H,4-7H2,1-3H3
InChIKeyWLMKPZFPNAEJMB-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337296
ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 169243186
8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 67587387
4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 161450829
4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 159846616
2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
CID 90937023
1-ethyl-2,3,3,5,7-pentamethyl-1,4-diazepane
CID 174296453
2-ethyl-4,4-dimethyl-2-azabicyclo[4.2.1]nonane
CID 166815485
2-ethyl-3,5-dimethyl-2-azabicyclo[2.2.2]octane
CID 178085129
3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 160999736
3,3-dimethyl-8-(1H-1,2,4-triazol-5-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 123977062
9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
CID 90360516

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane (CID 130224209) is 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane is CCN1C2CCC1C(C)(C)C2.
What is the InChIKey of 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is WLMKPZFPNAEJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-11-8-5-6-9(11)10(2,3)7-8/h8-9H,4-7H2,1-3H3.
What are the key properties of 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane?
7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 153.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 130224209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).