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

C10H18N2 — CID 70192232

IUPAC(1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESCC1[C@H]2C(C)(C)CC(N)=N[C@]12C
InChIInChI=1S/C10H18N2/c1-6-8-9(2,3)5-7(11)12-10(6,8)4/h6,8H,5H2,1-4H3,(H2,11,12)/t6?,8-,10+/m0/s1
InChIKeyPHYDJPIRWYZTFP-YVWIDPTOSA-N
MW166.27 g/mol
LogP1.80
Rot. Bonds

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

(1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (PubChem CID 70192232) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.

Molecular Properties

Compound Name(1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
PubChem CID70192232
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESCC1[C@H]2C(C)(C)CC(N)=N[C@]12C
InChIInChI=1S/C10H18N2/c1-6-8-9(2,3)5-7(11)12-10(6,8)4/h6,8H,5H2,1-4H3,(H2,11,12)/t6?,8-,10+/m0/s1
InChIKeyPHYDJPIRWYZTFP-YVWIDPTOSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The IUPAC name of (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (CID 70192232) is (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.
What is the SMILES notation for (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The canonical SMILES for (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is CC1[C@H]2C(C)(C)CC(N)=N[C@]12C.
What is the InChIKey of (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The InChIKey is PHYDJPIRWYZTFP-YVWIDPTOSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8-9(2,3)5-7(11)12-10(6,8)4/h6,8H,5H2,1-4H3,(H2,11,12)/t6?,8-,10+/m0/s1.
What are the key properties of (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
(1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine has a molecular weight of 166.27 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-1,5,5,7-tetramethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is sourced from PubChem (CID 70192232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).