N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine

C14H18N2 — CID 178168469

IUPACN-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine
SMILESCNCc1cn2c3c(cc(C)cc13)CCC2
InChIInChI=1S/C14H18N2/c1-10-6-11-4-3-5-16-9-12(8-15-2)13(7-10)14(11)16/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyNLBUDURZIMGPIO-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.62
Rot. Bonds2

About N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine

N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine (PubChem CID 178168469) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine
PubChem CID178168469
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine
SMILESCNCc1cn2c3c(cc(C)cc13)CCC2
InChIInChI=1S/C14H18N2/c1-10-6-11-4-3-5-16-9-12(8-15-2)13(7-10)14(11)16/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyNLBUDURZIMGPIO-UHFFFAOYSA-N
XLogP2.62
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine?
The IUPAC name of N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine (CID 178168469) is N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine is CNCc1cn2c3c(cc(C)cc13)CCC2.
What is the InChIKey of N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine?
The InChIKey is NLBUDURZIMGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-6-11-4-3-5-16-9-12(8-15-2)13(7-10)14(11)16/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine?
N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methanamine is sourced from PubChem (CID 178168469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).