N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine

C13H23N — CID 22894534

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine
SMILESC/C(=N\CC1CC2CCC1C2)C(C)C
InChIInChI=1S/C13H23N/c1-9(2)10(3)14-8-13-7-11-4-5-12(13)6-11/h9,11-13H,4-8H2,1-3H3/b14-10+
InChIKeyVTEXPPBIRAKVKL-GXDHUFHOSA-N
MW193.33 g/mol
LogP3.54
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine (PubChem CID 22894534) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine
PubChem CID22894534
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine
SMILESC/C(=N\CC1CC2CCC1C2)C(C)C
InChIInChI=1S/C13H23N/c1-9(2)10(3)14-8-13-7-11-4-5-12(13)6-11/h9,11-13H,4-8H2,1-3H3/b14-10+
InChIKeyVTEXPPBIRAKVKL-GXDHUFHOSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine
CID 161284558
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide
CID 119120722
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
CID 79558507
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
1-(2-bicyclo[2.2.1]heptanylmethoxy)ethyl acetate
CID 58944291
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993373
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine (CID 22894534) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine is C/C(=N\CC1CC2CCC1C2)C(C)C.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine?
The InChIKey is VTEXPPBIRAKVKL-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)10(3)14-8-13-7-11-4-5-12(13)6-11/h9,11-13H,4-8H2,1-3H3/b14-10+.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine has a molecular weight of 193.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine is sourced from PubChem (CID 22894534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).