4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol

C17H20N2O2 — CID 160846113

IUPAC4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol
SMILESCC1(N)C=CC(N)=CC1.Oc1cccc2c(O)cccc12
InChIInChI=1S/C10H8O2.C7H12N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;1-7(9)4-2-6(8)3-5-7/h1-6,11-12H;2-4H,5,8-9H2,1H3
InChIKeySIQXWMISEBWNTD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.76
Rot. Bonds

About 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol

4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol (PubChem CID 160846113) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol.

Molecular Properties

Compound Name4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol
PubChem CID160846113
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol
SMILESCC1(N)C=CC(N)=CC1.Oc1cccc2c(O)cccc12
InChIInChI=1S/C10H8O2.C7H12N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;1-7(9)4-2-6(8)3-5-7/h1-6,11-12H;2-4H,5,8-9H2,1H3
InChIKeySIQXWMISEBWNTD-UHFFFAOYSA-N
XLogP2.76
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol?
The IUPAC name of 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol (CID 160846113) is 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol.
What is the SMILES notation for 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol?
The canonical SMILES for 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol is CC1(N)C=CC(N)=CC1.Oc1cccc2c(O)cccc12.
What is the InChIKey of 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol?
The InChIKey is SIQXWMISEBWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C7H12N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;1-7(9)4-2-6(8)3-5-7/h1-6,11-12H;2-4H,5,8-9H2,1H3.
What are the key properties of 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol?
4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol has a molecular weight of 284.36 g/mol, XLogP of 2.76, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexa-1,5-diene-1,4-diamine;naphthalene-1,5-diol is sourced from PubChem (CID 160846113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).