6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C16H20N2O — CID 116993566

IUPAC6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCNCC1(c2cc3c4c(c2)CCN4C(=O)CC3)CC1
InChIInChI=1S/C16H20N2O/c1-17-10-16(5-6-16)13-8-11-2-3-14(19)18-7-4-12(9-13)15(11)18/h8-9,17H,2-7,10H2,1H3
InChIKeyWGIILHYKVNQSKA-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds3

About 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 116993566) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID116993566
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCNCC1(c2cc3c4c(c2)CCN4C(=O)CC3)CC1
InChIInChI=1S/C16H20N2O/c1-17-10-16(5-6-16)13-8-11-2-3-14(19)18-7-4-12(9-13)15(11)18/h8-9,17H,2-7,10H2,1H3
InChIKeyWGIILHYKVNQSKA-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one with MolForge

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Related Compounds

6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 19612122
6-(aminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 82506343
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)methanesulfonamide
CID 6852089
2-(methylamino)-2-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetic acid
CID 116993581
N-butyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383960
N,N-diethyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384026
1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine
CID 62595536
11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride
CID 154832130
7-(1-aminopropan-2-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 116993145
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pentanamide
CID 7526325
N-(2-methylbutan-2-yl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 46345013
11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383959

Frequently Asked Questions

What is the IUPAC name of 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 116993566) is 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is CNCC1(c2cc3c4c(c2)CCN4C(=O)CC3)CC1.
What is the InChIKey of 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is WGIILHYKVNQSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-10-16(5-6-16)13-8-11-2-3-14(19)18-7-4-12(9-13)15(11)18/h8-9,17H,2-7,10H2,1H3.
What are the key properties of 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 256.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(methylaminomethyl)cyclopropyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 116993566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).