(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine

C9H17N — CID 167142700

IUPAC(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine
SMILESCC[C@H]1[C@H]2CC[C@H](C2)[C@@H]1N
InChIInChI=1S/C9H17N/c1-2-8-6-3-4-7(5-6)9(8)10/h6-9H,2-5,10H2,1H3/t6-,7+,8-,9-/m0/s1
InChIKeyQYTHWJNNSBYKMT-KZVJFYERSA-N
MW139.24 g/mol
LogP1.77
Rot. Bonds1

About (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine

(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 167142700) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine
PubChem CID167142700
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine
SMILESCC[C@H]1[C@H]2CC[C@H](C2)[C@@H]1N
InChIInChI=1S/C9H17N/c1-2-8-6-3-4-7(5-6)9(8)10/h6-9H,2-5,10H2,1H3/t6-,7+,8-,9-/m0/s1
InChIKeyQYTHWJNNSBYKMT-KZVJFYERSA-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

Analyze (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

3-ethylbicyclo[2.2.1]heptan-2-amine
CID 20590601
[(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 (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine (CID 167142700) is (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine is CC[C@H]1[C@H]2CC[C@H](C2)[C@@H]1N.
What is the InChIKey of (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is QYTHWJNNSBYKMT-KZVJFYERSA-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/t6-,7+,8-,9-/m0/s1.
What are the key properties of (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine?
(1R,2S,3S,4S)-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 (1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 167142700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).