(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane

C7H13N — CID 168890480

IUPAC(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C7H13N/c1-5-2-7-3-6(5)4-8-7/h5-8H,2-4H2,1H3/t5?,6-,7+/m0/s1
InChIKeyIAHLNSNMWRARQE-BOJSHJERSA-N
MW111.19 g/mol
LogP1.00
Rot. Bonds

About (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane

(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 168890480) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID168890480
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C7H13N/c1-5-2-7-3-6(5)4-8-7/h5-8H,2-4H2,1H3/t5?,6-,7+/m0/s1
InChIKeyIAHLNSNMWRARQE-BOJSHJERSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane with MolForge

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Related Compounds

ethane;5-methyl-2-azabicyclo[2.2.1]heptane
CID 156793137
(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine
CID 121336326
7-methyl-2,5-diazabicyclo[2.2.2]octane
CID 170189003
(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 162422519
2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 153284274
5-butyl-2-azabicyclo[2.2.1]heptane
CID 69403972
6-methyl-2-azabicyclo[3.2.2]nonane
CID 163899527
(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile
CID 98092349
methyl (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carboxylate
CID 121227040
tert-butyl N-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
CID 154725996
ethane;3-methyl-6-azabicyclo[3.2.1]octane
CID 156888157
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane (CID 168890480) is (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane is CC1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is IAHLNSNMWRARQE-BOJSHJERSA-N. The full InChI is InChI=1S/C7H13N/c1-5-2-7-3-6(5)4-8-7/h5-8H,2-4H2,1H3/t5?,6-,7+/m0/s1.
What are the key properties of (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane?
(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 168890480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).