12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline

C18H29N — CID 155174105

IUPAC12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline
SMILESC=C1C2CC3CCCCC3CC2CC2CCCNC12
InChIInChI=1S/C18H29N/c1-12-17-11-14-6-3-2-5-13(14)9-16(17)10-15-7-4-8-19-18(12)15/h13-19H,1-11H2
InChIKeyGYPMJDMDOHXGNR-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.15
Rot. Bonds

About 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline

12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline (PubChem CID 155174105) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline.

Molecular Properties

Compound Name12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline
PubChem CID155174105
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline
SMILESC=C1C2CC3CCCCC3CC2CC2CCCNC12
InChIInChI=1S/C18H29N/c1-12-17-11-14-6-3-2-5-13(14)9-16(17)10-15-7-4-8-19-18(12)15/h13-19H,1-11H2
InChIKeyGYPMJDMDOHXGNR-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline with MolForge

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Related Compounds

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CID 91480965
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CID 638054
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
1,2,3,4,4a,5,6,7,8,9a-decahydropyrido[2,3-c]azepin-9-one
CID 165457744
2-cyclopentylpyrrolidine
CID 4031549
CID 159099716
CID 159099716
2-pyrrolidin-2-ylpiperidine
CID 14810994
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 167396115
1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
CID 58165389
2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678

Frequently Asked Questions

What is the IUPAC name of 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline?
The IUPAC name of 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline (CID 155174105) is 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline.
What is the SMILES notation for 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline?
The canonical SMILES for 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline is C=C1C2CC3CCCCC3CC2CC2CCCNC12.
What is the InChIKey of 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline?
The InChIKey is GYPMJDMDOHXGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12-17-11-14-6-3-2-5-13(14)9-16(17)10-15-7-4-8-19-18(12)15/h13-19H,1-11H2.
What are the key properties of 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline?
12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline has a molecular weight of 259.44 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylidene-2,3,4,4a,5,5a,6,6a,7,8,9,10,10a,11,11a,12a-hexadecahydro-1H-naphtho[2,3-g]quinoline is sourced from PubChem (CID 155174105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).