(1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride

C10H19ClN2 — CID 70192049

IUPAC(1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride
SMILESCC1CC(N)=N[C@@]2(C)[C@H]1C2(C)C.Cl
InChIInChI=1S/C10H18N2.ClH/c1-6-5-7(11)12-10(4)8(6)9(10,2)3;/h6,8H,5H2,1-4H3,(H2,11,12);1H/t6?,8-,10+;/m1./s1
InChIKeyJRBSAVGGNXAHLI-RECPVCCYSA-N
MW202.73 g/mol
LogP2.22
Rot. Bonds

About (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride

(1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride (PubChem CID 70192049) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride.

Molecular Properties

Compound Name(1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride
PubChem CID70192049
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name(1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride
SMILESCC1CC(N)=N[C@@]2(C)[C@H]1C2(C)C.Cl
InChIInChI=1S/C10H18N2.ClH/c1-6-5-7(11)12-10(4)8(6)9(10,2)3;/h6,8H,5H2,1-4H3,(H2,11,12);1H/t6?,8-,10+;/m1./s1
InChIKeyJRBSAVGGNXAHLI-RECPVCCYSA-N
XLogP2.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride?
The IUPAC name of (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride (CID 70192049) is (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride.
What is the SMILES notation for (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride?
The canonical SMILES for (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride is CC1CC(N)=N[C@@]2(C)[C@H]1C2(C)C.Cl.
What is the InChIKey of (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride?
The InChIKey is JRBSAVGGNXAHLI-RECPVCCYSA-N. The full InChI is InChI=1S/C10H18N2.ClH/c1-6-5-7(11)12-10(4)8(6)9(10,2)3;/h6,8H,5H2,1-4H3,(H2,11,12);1H/t6?,8-,10+;/m1./s1.
What are the key properties of (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride?
(1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride has a molecular weight of 202.73 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-1,5,7,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine;hydrochloride is sourced from PubChem (CID 70192049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).