3-ethylbicyclo[2.2.1]heptan-2-amine

C9H17N — CID 20590601

IUPAC3-ethylbicyclo[2.2.1]heptan-2-amine
SMILESCCC1C2CCC(C2)C1N
InChIInChI=1S/C9H17N/c1-2-8-6-3-4-7(5-6)9(8)10/h6-9H,2-5,10H2,1H3
InChIKeyQYTHWJNNSBYKMT-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.77
Rot. Bonds1

About 3-ethylbicyclo[2.2.1]heptan-2-amine

3-ethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 20590601) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-ethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-ethylbicyclo[2.2.1]heptan-2-amine
PubChem CID20590601
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-ethylbicyclo[2.2.1]heptan-2-amine
SMILESCCC1C2CCC(C2)C1N
InChIInChI=1S/C9H17N/c1-2-8-6-3-4-7(5-6)9(8)10/h6-9H,2-5,10H2,1H3
InChIKeyQYTHWJNNSBYKMT-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine
CID 167142700
[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol
CID 18389676
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
cis-(2R,3S)-2,3-diethylcyclopropan-1-amine
CID 121336325
tricyclo[4.2.1.12,4]decan-5-amine
CID 123976925
3-[[(1-propylcyclopropyl)methylamino]methyl]bicyclo[2.2.1]heptan-2-amine
CID 114100654
(1R,2R,3S,4S)-2-[2-[(1S,2S,3R,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 59960440
4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine
CID 67929401
cis-(2R,3S)-2-ethyl-3-methylcyclopentan-1-amine
CID 163832178
ethyl (1R,2R,3S,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
CID 98135731
2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
(1R,2S,3S,4S)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 167142264

Frequently Asked Questions

What is the IUPAC name of 3-ethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-ethylbicyclo[2.2.1]heptan-2-amine (CID 20590601) is 3-ethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-ethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-ethylbicyclo[2.2.1]heptan-2-amine is CCC1C2CCC(C2)C1N.
What is the InChIKey of 3-ethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is QYTHWJNNSBYKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-8-6-3-4-7(5-6)9(8)10/h6-9H,2-5,10H2,1H3.
What are the key properties of 3-ethylbicyclo[2.2.1]heptan-2-amine?
3-ethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 139.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 20590601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).