(1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine

C11H19N — CID 124776227

IUPAC(1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
SMILESCCN[C@@H]1[C@H]2C[C@H]3[C@H]1[C@@]3(CC)C2
InChIInChI=1S/C11H19N/c1-3-11-6-7-5-8(11)9(11)10(7)12-4-2/h7-10,12H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
InChIKeyJXABZUKPGATLHK-DAWVFNFOSA-N
MW165.28 g/mol
LogP2.03
Rot. Bonds3

About (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine

(1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine (PubChem CID 124776227) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine.

Molecular Properties

Compound Name(1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
PubChem CID124776227
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
SMILESCCN[C@@H]1[C@H]2C[C@H]3[C@H]1[C@@]3(CC)C2
InChIInChI=1S/C11H19N/c1-3-11-6-7-5-8(11)9(11)10(7)12-4-2/h7-10,12H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1
InChIKeyJXABZUKPGATLHK-DAWVFNFOSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine?
The IUPAC name of (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine (CID 124776227) is (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine.
What is the SMILES notation for (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine?
The canonical SMILES for (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine is CCN[C@@H]1[C@H]2C[C@H]3[C@H]1[C@@]3(CC)C2.
What is the InChIKey of (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine?
The InChIKey is JXABZUKPGATLHK-DAWVFNFOSA-N. The full InChI is InChI=1S/C11H19N/c1-3-11-6-7-5-8(11)9(11)10(7)12-4-2/h7-10,12H,3-6H2,1-2H3/t7-,8-,9+,10+,11-/m0/s1.
What are the key properties of (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine?
(1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine has a molecular weight of 165.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine is sourced from PubChem (CID 124776227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).