methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide

C16H28N- — CID 163166138

IUPACmethyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide
SMILESC[N-][C@@H]1CC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@]12C3
InChIInChI=1S/C16H28N/c1-14(2)10-13(17-4)16-8-5-7-15(3,11-16)9-6-12(14)16/h12-13H,5-11H2,1-4H3/q-1/t12-,13+,15+,16-/m0/s1
InChIKeyVULZNGJNVMPHBN-XNISGKROSA-N
MW234.41 g/mol
LogP4.77
Rot. Bonds1

About methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide

methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide (PubChem CID 163166138) has the molecular formula C16H28N- and a molecular weight of 234.41 g/mol. Its IUPAC name is methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide.

Molecular Properties

Compound Namemethyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide
PubChem CID163166138
Molecular FormulaC16H28N-
Molecular Weight234.41 g/mol
Exact Mass234.22
IUPAC Namemethyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide
SMILESC[N-][C@@H]1CC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@]12C3
InChIInChI=1S/C16H28N/c1-14(2)10-13(17-4)16-8-5-7-15(3,11-16)9-6-12(14)16/h12-13H,5-11H2,1-4H3/q-1/t12-,13+,15+,16-/m0/s1
InChIKeyVULZNGJNVMPHBN-XNISGKROSA-N
XLogP4.77
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide with MolForge

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Related Compounds

11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane
CID 14263132
3,3,7-trimethyltricyclo[5.3.2.04,11]dodecan-11-ol
CID 14263134
(1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde
CID 162898555
(1R,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902598
(1S,2R,5R,8R,9S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902597
(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 6558363
(1'R,2'R,5'R,8'S)-8'-methylspiro[cyclopentane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol
CID 162829619
(1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol
CID 68953637
8'-methylspiro[cyclohexane-1,4'-tricyclo[6.3.1.02,5]dodecane]-1'-ol
CID 162838967
8-methyltricyclo[6.3.1.02,5]dodecan-1-ol
CID 162830948
(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
CID 44584079
7-methyltricyclo[5.1.1.01,5]nonane
CID 123707338

Frequently Asked Questions

What is the IUPAC name of methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide?
The IUPAC name of methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide (CID 163166138) is methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide.
What is the SMILES notation for methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide?
The canonical SMILES for methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide is C[N-][C@@H]1CC(C)(C)[C@@H]2CC[C@@]3(C)CCC[C@@]12C3.
What is the InChIKey of methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide?
The InChIKey is VULZNGJNVMPHBN-XNISGKROSA-N. The full InChI is InChI=1S/C16H28N/c1-14(2)10-13(17-4)16-8-5-7-15(3,11-16)9-6-12(14)16/h12-13H,5-11H2,1-4H3/q-1/t12-,13+,15+,16-/m0/s1.
What are the key properties of methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide?
methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide has a molecular weight of 234.41 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1S,2R,5S,8R)-4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl]azanide is sourced from PubChem (CID 163166138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).