8a-methyl-1H-naphthalene-1,4-diamine

C11H14N2 — CID 163261239

IUPAC8a-methyl-1H-naphthalene-1,4-diamine
SMILESCC12C=CC=CC1=C(N)C=CC2N
InChIInChI=1S/C11H14N2/c1-11-7-3-2-4-8(11)9(12)5-6-10(11)13/h2-7,10H,12-13H2,1H3
InChIKeyQUQFLYUQXBOBQY-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.23
Rot. Bonds

About 8a-methyl-1H-naphthalene-1,4-diamine

8a-methyl-1H-naphthalene-1,4-diamine (PubChem CID 163261239) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 8a-methyl-1H-naphthalene-1,4-diamine.

Molecular Properties

Compound Name8a-methyl-1H-naphthalene-1,4-diamine
PubChem CID163261239
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name8a-methyl-1H-naphthalene-1,4-diamine
SMILESCC12C=CC=CC1=C(N)C=CC2N
InChIInChI=1S/C11H14N2/c1-11-7-3-2-4-8(11)9(12)5-6-10(11)13/h2-7,10H,12-13H2,1H3
InChIKeyQUQFLYUQXBOBQY-UHFFFAOYSA-N
XLogP1.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,8a-dimethyl-1H-naphthalene
CID 142600309
3,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130311423
2-(3,6-diamino-1-methylcyclohexa-2,4-dien-1-yl)ethanol
CID 141050772
4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine
CID 70139379
6-methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 67028805
1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine
CID 152759950
3-(3-chloro-4-fluorophenyl)-3-methylcyclohexa-1,5-diene-1,4-diamine
CID 175313553
(E)-(6,6-dimethylcyclohepta-2,4-dien-1-ylidene)hydrazine
CID 123784868
(1,3-dimethylcyclohepta-2,4,6-trien-1-yl)methanamine
CID 143194036
3-amino-4-methylcyclohexa-1,5-diene-1,4-dicarboxylate
CID 53411745
1,6-ditert-butylcyclohexa-2,4-dien-1-amine
CID 176901805
9,10-dimethyltetracyclo[9.4.0.01,3.03,8]pentadeca-4,6,8,10,12,14-hexaene
CID 143010186

Frequently Asked Questions

What is the IUPAC name of 8a-methyl-1H-naphthalene-1,4-diamine?
The IUPAC name of 8a-methyl-1H-naphthalene-1,4-diamine (CID 163261239) is 8a-methyl-1H-naphthalene-1,4-diamine.
What is the SMILES notation for 8a-methyl-1H-naphthalene-1,4-diamine?
The canonical SMILES for 8a-methyl-1H-naphthalene-1,4-diamine is CC12C=CC=CC1=C(N)C=CC2N.
What is the InChIKey of 8a-methyl-1H-naphthalene-1,4-diamine?
The InChIKey is QUQFLYUQXBOBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11-7-3-2-4-8(11)9(12)5-6-10(11)13/h2-7,10H,12-13H2,1H3.
What are the key properties of 8a-methyl-1H-naphthalene-1,4-diamine?
8a-methyl-1H-naphthalene-1,4-diamine has a molecular weight of 174.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-1H-naphthalene-1,4-diamine is sourced from PubChem (CID 163261239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).