1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane

C16H27N — CID 616199

IUPAC1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane
SMILESC=C1C2CN(C)CC3C2C(C(C)C)CCC13C
InChIInChI=1S/C16H27N/c1-10(2)12-6-7-16(4)11(3)13-8-17(5)9-14(16)15(12)13/h10,12-15H,3,6-9H2,1-2,4-5H3
InChIKeyKXDPOVGKEXXCDQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.42
Rot. Bonds1

About 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane

1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane (PubChem CID 616199) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane.

Molecular Properties

Compound Name1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane
PubChem CID616199
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane
SMILESC=C1C2CN(C)CC3C2C(C(C)C)CCC13C
InChIInChI=1S/C16H27N/c1-10(2)12-6-7-16(4)11(3)13-8-17(5)9-14(16)15(12)13/h10,12-15H,3,6-9H2,1-2,4-5H3
InChIKeyKXDPOVGKEXXCDQ-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxypropyl 2-[(1R,7S,8R,9R)-1-methyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecan-5-yl]ethyl hydrogen phosphate
CID 162989021
(1R,3R,7S,8R,9R)-1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecan-6-one
CID 177452385
(1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecan-4-yl) acetate
CID 12832902
[(1R,4R,5R,6R,8S)-8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]methanol
CID 134715067
1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 519779
(1S,6R,7R)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 25244198
(1R,2S,5S,6R,7R,8R)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,8]decan-7-ol
CID 162810997
(1R,2S,4R,7S,10R,11S,12S,13S,15S)-4,7,15-trimethyl-18-methylidene-10-propan-2-ylpentacyclo[13.2.1.02,13.04,12.07,11]octadecane
CID 170835673
(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroindene-1-carbaldehyde
CID 163049287
2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid
CID 129018732
(1R,2S,4aR,5R,8S,8aS)-2,5-dimethyl-8-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-1,5-diol
CID 21140311
methyl(tripropyl)azanium;3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane;chloride
CID 175225393

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane?
The IUPAC name of 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane (CID 616199) is 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane.
What is the SMILES notation for 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane?
The canonical SMILES for 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane is C=C1C2CN(C)CC3C2C(C(C)C)CCC13C.
What is the InChIKey of 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane?
The InChIKey is KXDPOVGKEXXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-10(2)12-6-7-16(4)11(3)13-8-17(5)9-14(16)15(12)13/h10,12-15H,3,6-9H2,1-2,4-5H3.
What are the key properties of 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane?
1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane has a molecular weight of 233.40 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane is sourced from PubChem (CID 616199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).