(1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene

C16H24N2 — CID 10729011

IUPAC(1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene
SMILESCC1(C)[C@@]2(C)N=N[C@]1(C)[C@@H]1[C@H]3[C@@H]4CCC[C@@H]4[C@H]3[C@@H]12
InChIInChI=1S/C16H24N2/c1-14(2)15(3)12-10-8-6-5-7-9(8)11(10)13(12)16(14,4)18-17-15/h8-13H,5-7H2,1-4H3/t8-,9+,10+,11-,12-,13+,15-,16+
InChIKeyWIULCNJYDRXWEY-GBOJTCOTSA-N
MW244.38 g/mol
LogP3.92
Rot. Bonds

About (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene

(1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene (PubChem CID 10729011) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene.

Molecular Properties

Compound Name(1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene
PubChem CID10729011
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene
SMILESCC1(C)[C@@]2(C)N=N[C@]1(C)[C@@H]1[C@H]3[C@@H]4CCC[C@@H]4[C@H]3[C@@H]12
InChIInChI=1S/C16H24N2/c1-14(2)15(3)12-10-8-6-5-7-9(8)11(10)13(12)16(14,4)18-17-15/h8-13H,5-7H2,1-4H3/t8-,9+,10+,11-,12-,13+,15-,16+
InChIKeyWIULCNJYDRXWEY-GBOJTCOTSA-N
XLogP3.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}

Analyze (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene with MolForge

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Related Compounds

(1S,2S,6R,7S,8R)-11,11-dimethyltricyclo[5.4.0.02,6]undecan-8-ol
CID 130757656
(7S,8S)-tetracyclo[5.4.0.02,6.08,11]undecane
CID 163896911
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
(1R,3S,7R,8S)-6,6-dimethyltetracyclo[6.6.0.02,4.03,7]tetradecan-5-one
CID 102115786
12,12-dimethyl-10,11-diazatricyclo[7.2.1.02,8]dodec-10-ene
CID 572172
8-methyltricyclo[6.1.1.02,6]decane
CID 123431800
heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane
CID 91488372
nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
CID 91087023

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene?
The IUPAC name of (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene (CID 10729011) is (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene.
What is the SMILES notation for (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene?
The canonical SMILES for (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene is CC1(C)[C@@]2(C)N=N[C@]1(C)[C@@H]1[C@H]3[C@@H]4CCC[C@@H]4[C@H]3[C@@H]12.
What is the InChIKey of (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene?
The InChIKey is WIULCNJYDRXWEY-GBOJTCOTSA-N. The full InChI is InChI=1S/C16H24N2/c1-14(2)15(3)12-10-8-6-5-7-9(8)11(10)13(12)16(14,4)18-17-15/h8-13H,5-7H2,1-4H3/t8-,9+,10+,11-,12-,13+,15-,16+.
What are the key properties of (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene?
(1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene has a molecular weight of 244.38 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,8S,9R,10S,11S)-1,11,14,14-tetramethyl-12,13-diazapentacyclo[9.2.1.02,10.03,9.04,8]tetradec-12-ene is sourced from PubChem (CID 10729011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).