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

C18H24N2 — CID 116983863

IUPACN-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
SMILESCNCC1(c2c(C)n3c4c(cccc24)CCC3)CCC1
InChIInChI=1S/C18H24N2/c1-13-16(18(12-19-2)9-5-10-18)15-8-3-6-14-7-4-11-20(13)17(14)15/h3,6,8,19H,4-5,7,9-12H2,1-2H3
InChIKeyFJZVBCDGIBRMSP-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.54
Rot. Bonds3

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

N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine (PubChem CID 116983863) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
PubChem CID116983863
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
SMILESCNCC1(c2c(C)n3c4c(cccc24)CCC3)CCC1
InChIInChI=1S/C18H24N2/c1-13-16(18(12-19-2)9-5-10-18)15-8-3-6-14-7-4-11-20(13)17(14)15/h3,6,8,19H,4-5,7,9-12H2,1-2H3
InChIKeyFJZVBCDGIBRMSP-UHFFFAOYSA-N
XLogP3.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine
CID 84625165
3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)oxetane-3-carbonitrile
CID 116983867
2,3-dimethyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 598481
3-(2-bromoethyl)-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10378814
1-[1-(7-ethyl-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84636329
2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propan-2-ol
CID 116983852
2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetonitrile
CID 116983839
N-[(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)methyl]cyclopropanamine
CID 116983814
3-bromo-4-methyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
CID 154882482
2-methyl-3-(piperidin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84640982
2-methyl-3-(pyrrolidin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84635427
N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
CID 84635166

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine (CID 116983863) is N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine is CNCC1(c2c(C)n3c4c(cccc24)CCC3)CCC1.
What is the InChIKey of N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine?
The InChIKey is FJZVBCDGIBRMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-16(18(12-19-2)9-5-10-18)15-8-3-6-14-7-4-11-20(13)17(14)15/h3,6,8,19H,4-5,7,9-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine?
N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine has a molecular weight of 268.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 116983863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).