4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane

C10H19N3 — CID 163551095

IUPAC4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
SMILESCC1CC2C(N1)NC1CNCCC12
InChIInChI=1S/C10H19N3/c1-6-4-8-7-2-3-11-5-9(7)13-10(8)12-6/h6-13H,2-5H2,1H3
InChIKeyFJDIBEHEXHMGAX-UHFFFAOYSA-N
MW181.28 g/mol
LogP-0.11
Rot. Bonds

About 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane

4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane (PubChem CID 163551095) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
PubChem CID163551095
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
SMILESCC1CC2C(N1)NC1CNCCC12
InChIInChI=1S/C10H19N3/c1-6-4-8-7-2-3-11-5-9(7)13-10(8)12-6/h6-13H,2-5H2,1H3
InChIKeyFJDIBEHEXHMGAX-UHFFFAOYSA-N
XLogP-0.11
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
CID 163997811
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CID 118587319
3-heptan-4-yl-4-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
CID 143036470
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CID 167133847
(2S,4S)-2,4-dimethylazetidine;hydrochloride
CID 135392273
4-cyclohexyl-3-methylpiperidine
CID 79320400
2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine
CID 164721260
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
CID 143810009
(2R,6S)-2-cyclopropyl-6-methylpiperazine
CID 134446331
(1S)-4-methyl-3-azatricyclo[4.2.0.02,7]octane
CID 163910451
3-methyl-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine
CID 90322116
(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 7078488

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane (CID 163551095) is 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane is CC1CC2C(N1)NC1CNCCC12.
What is the InChIKey of 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane?
The InChIKey is FJDIBEHEXHMGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-4-8-7-2-3-11-5-9(7)13-10(8)12-6/h6-13H,2-5H2,1H3.
What are the key properties of 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane?
4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane has a molecular weight of 181.28 g/mol, XLogP of -0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 163551095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).