(2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane

C11H20N2 — CID 124935603

IUPAC(2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane
SMILESC[C@@H]1CC[C@H]2[C@H](C1)N1CCN2CC1
InChIInChI=1S/C11H20N2/c1-9-2-3-10-11(8-9)13-6-4-12(10)5-7-13/h9-11H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKeyJWAPEQMZRFCXDF-VWYCJHECSA-N
MW180.29 g/mol
LogP1.17
Rot. Bonds

About (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane

(2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane (PubChem CID 124935603) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane.

Molecular Properties

Compound Name(2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane
PubChem CID124935603
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane
SMILESC[C@@H]1CC[C@H]2[C@H](C1)N1CCN2CC1
InChIInChI=1S/C11H20N2/c1-9-2-3-10-11(8-9)13-6-4-12(10)5-7-13/h9-11H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKeyJWAPEQMZRFCXDF-VWYCJHECSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane?
The IUPAC name of (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane (CID 124935603) is (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane.
What is the SMILES notation for (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane?
The canonical SMILES for (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane is C[C@@H]1CC[C@H]2[C@H](C1)N1CCN2CC1.
What is the InChIKey of (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane?
The InChIKey is JWAPEQMZRFCXDF-VWYCJHECSA-N. The full InChI is InChI=1S/C11H20N2/c1-9-2-3-10-11(8-9)13-6-4-12(10)5-7-13/h9-11H,2-8H2,1H3/t9-,10+,11+/m1/s1.
What are the key properties of (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane?
(2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane has a molecular weight of 180.29 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,7S)-4-methyl-1,8-diazatricyclo[6.2.2.02,7]dodecane is sourced from PubChem (CID 124935603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).