N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine

C8H14N2 — CID 126762660

IUPACN,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine
SMILESC/N=C1\CC2CC1NC2C
InChIInChI=1S/C8H14N2/c1-5-6-3-7(9-2)8(4-6)10-5/h5-6,8,10H,3-4H2,1-2H3/b9-7+
InChIKeyXBYSJFAPGJBXHB-VQHVLOKHSA-N
MW138.21 g/mol
LogP0.83
Rot. Bonds

About N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine

N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine (PubChem CID 126762660) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine.

Molecular Properties

Compound NameN,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine
PubChem CID126762660
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine
SMILESC/N=C1\CC2CC1NC2C
InChIInChI=1S/C8H14N2/c1-5-6-3-7(9-2)8(4-6)10-5/h5-6,8,10H,3-4H2,1-2H3/b9-7+
InChIKeyXBYSJFAPGJBXHB-VQHVLOKHSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-azabicyclo[2.2.1]heptane
CID 20805027
2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline
CID 118595867
(3R)-1-methyl-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 70595398
N-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 131851589
2,6-dimethylpiperidin-4-one
CID 11040712
(4S)-3-iodo-2,4-dimethyl-1,2,3,4,6,7,8,8a-octahydroquinoline
CID 163639865
3,4-dimethylbicyclo[4.1.0]hept-3-ene
CID 12651895
2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
CID 14398334
(2S,3S,4aS,8aS)-3-hydroxy-2-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-one
CID 11957865
2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine
CID 159572720
1,2,3,5-tetramethylcyclohexene
CID 12751060
(2S,4S)-2,4-dimethylazetidine;hydrochloride
CID 135392273

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine?
The IUPAC name of N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine (CID 126762660) is N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine.
What is the SMILES notation for N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine?
The canonical SMILES for N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine is C/N=C1\CC2CC1NC2C.
What is the InChIKey of N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine?
The InChIKey is XBYSJFAPGJBXHB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-3-7(9-2)8(4-6)10-5/h5-6,8,10H,3-4H2,1-2H3/b9-7+.
What are the key properties of N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine?
N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine has a molecular weight of 138.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-azabicyclo[2.2.1]heptan-6-imine is sourced from PubChem (CID 126762660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).