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

C20H38N2 — CID 161284558

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine
SMILESC/C(=N\CC1CC2CCC1C2)C(C)C.CC/N=C(\C)C(C)C
InChIInChI=1S/C13H23N.C7H15N/c1-9(2)10(3)14-8-13-7-11-4-5-12(13)6-11;1-5-8-7(4)6(2)3/h9,11-13H,4-8H2,1-3H3;6H,5H2,1-4H3/b14-10+;8-7+
InChIKeyVFNSMKSUFCIEFV-HXTWESRJSA-N
MW306.54 g/mol
LogP5.66
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine (PubChem CID 161284558) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine
PubChem CID161284558
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine
SMILESC/C(=N\CC1CC2CCC1C2)C(C)C.CC/N=C(\C)C(C)C
InChIInChI=1S/C13H23N.C7H15N/c1-9(2)10(3)14-8-13-7-11-4-5-12(13)6-11;1-5-8-7(4)6(2)3/h9,11-13H,4-8H2,1-3H3;6H,5H2,1-4H3/b14-10+;8-7+
InChIKeyVFNSMKSUFCIEFV-HXTWESRJSA-N
XLogP5.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine (CID 161284558) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine is C/C(=N\CC1CC2CCC1C2)C(C)C.CC/N=C(\C)C(C)C.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine?
The InChIKey is VFNSMKSUFCIEFV-HXTWESRJSA-N. The full InChI is InChI=1S/C13H23N.C7H15N/c1-9(2)10(3)14-8-13-7-11-4-5-12(13)6-11;1-5-8-7(4)6(2)3/h9,11-13H,4-8H2,1-3H3;6H,5H2,1-4H3/b14-10+;8-7+.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine has a molecular weight of 306.54 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine is sourced from PubChem (CID 161284558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).