5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol

C8H12N2O — CID 143759338

IUPAC5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol
SMILESCC1(N)C=CC=C(O)C(N)=C1
InChIInChI=1S/C8H12N2O/c1-8(10)4-2-3-7(11)6(9)5-8/h2-5,11H,9-10H2,1H3
InChIKeyXXGRJBNXHNUZDW-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.56
Rot. Bonds

About 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol

5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol (PubChem CID 143759338) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol
PubChem CID143759338
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol
SMILESCC1(N)C=CC=C(O)C(N)=C1
InChIInChI=1S/C8H12N2O/c1-8(10)4-2-3-7(11)6(9)5-8/h2-5,11H,9-10H2,1H3
InChIKeyXXGRJBNXHNUZDW-UHFFFAOYSA-N
XLogP0.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Tert-butylamino)-5-fluoro-5-methylcyclohepta-1,3,6-trien-1-ol
CID 166168729
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
5-Amino-5-methylcyclohepta-1,3,6-trien-1-ol
CID 126612422
(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol
CID 126747543
(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol
CID 130391051
(2E,4E)-4-amino-6-methylhepta-2,4,6-trien-3-ol
CID 132032641
5-Aminocyclohepta-1,4,6-trien-1-ol
CID 138741221
3-Amino-3-methylcyclohepta-1,4,6-trien-1-ol
CID 141996373
6-Amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol
CID 142014773
7-Amino-4-methylcyclohepta-1,3,6-trien-1-ol
CID 142096049
6-Aminocyclohepta-1,4,6-trien-1-ol
CID 142195841

Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol (CID 143759338) is 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol is CC1(N)C=CC=C(O)C(N)=C1.
What is the InChIKey of 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol?
The InChIKey is XXGRJBNXHNUZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(10)4-2-3-7(11)6(9)5-8/h2-5,11H,9-10H2,1H3.
What are the key properties of 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol?
5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol has a molecular weight of 152.20 g/mol, XLogP of 0.56, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-5-methylcyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 143759338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).