(1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane

C14H23N — CID 12068966

IUPAC(1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane
SMILESC=C1C[C@@H]2CC[C@H]3[C@H](C)C[C@@H](C)[C@H](C1)N23
InChIInChI=1S/C14H23N/c1-9-6-12-4-5-13-10(2)8-11(3)14(7-9)15(12)13/h10-14H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1
InChIKeyCAONVAOYDMYPFU-DGTMBMJNSA-N
MW205.34 g/mol
LogP3.21
Rot. Bonds

About (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane

(1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane (PubChem CID 12068966) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane.

Molecular Properties

Compound Name(1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane
PubChem CID12068966
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane
SMILESC=C1C[C@@H]2CC[C@H]3[C@H](C)C[C@@H](C)[C@H](C1)N23
InChIInChI=1S/C14H23N/c1-9-6-12-4-5-13-10(2)8-11(3)14(7-9)15(12)13/h10-14H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1
InChIKeyCAONVAOYDMYPFU-DGTMBMJNSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane with MolForge

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Related Compounds

(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
CID 89337063
(1R,4R,8R,11S)-11-methyl-9-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-one
CID 11665614
(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 11264207
(1R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 134847975
8-methyl-3-methylidene-8-azabicyclo[3.2.1]octan-6-ol
CID 58902791
formonitrile;1-methyl-3-methylidenecyclobutane
CID 160812987
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
CID 126540948
tert-butyl (1R,5S)-3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 97267889
N-methyl-8-(2-methylcyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63281613
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 64743890

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane?
The IUPAC name of (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane (CID 12068966) is (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane.
What is the SMILES notation for (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane?
The canonical SMILES for (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane is C=C1C[C@@H]2CC[C@H]3[C@H](C)C[C@@H](C)[C@H](C1)N23.
What is the InChIKey of (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane?
The InChIKey is CAONVAOYDMYPFU-DGTMBMJNSA-N. The full InChI is InChI=1S/C14H23N/c1-9-6-12-4-5-13-10(2)8-11(3)14(7-9)15(12)13/h10-14H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1.
What are the key properties of (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane?
(1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane has a molecular weight of 205.34 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R,7R,8S)-5,7-dimethyl-10-methylidene-12-azatricyclo[6.3.1.04,12]dodecane is sourced from PubChem (CID 12068966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).