1H-inden-4-amine;methanamine

C12H24N4 — CID 174766313

IUPAC1H-inden-4-amine;methanamine
SMILESCN.CN.CN.Nc1cccc2c1C=CC2
InChIInChI=1S/C9H9N.3CH5N/c10-9-6-2-4-7-3-1-5-8(7)9;3*1-2/h1-2,4-6H,3,10H2;3*2H2,1H3
InChIKeyLFMVMIIGTUYMFX-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.56
Rot. Bonds

About 1H-inden-4-amine;methanamine

1H-inden-4-amine;methanamine (PubChem CID 174766313) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1H-inden-4-amine;methanamine.

Molecular Properties

Compound Name1H-inden-4-amine;methanamine
PubChem CID174766313
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1H-inden-4-amine;methanamine
SMILESCN.CN.CN.Nc1cccc2c1C=CC2
InChIInChI=1S/C9H9N.3CH5N/c10-9-6-2-4-7-3-1-5-8(7)9;3*1-2/h1-2,4-6H,3,10H2;3*2H2,1H3
InChIKeyLFMVMIIGTUYMFX-UHFFFAOYSA-N
XLogP0.56
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-Diaminotoluene
CID 7252
1,5-Diaminonaphthalene
CID 16720
3,4-Dimethylaniline
CID 7248
2,5-Dimethylaniline
CID 7259
2-Ethylaniline
CID 11357
2,3-Dimethylaniline
CID 6893
3-Ethylaniline
CID 11475
2-Isopropylaniline
CID 12561
2-Propylaniline
CID 15759
(R)-6,6'-Dimethyl-1,1'-biphenyl-2,2'-diyldiamine
CID 882241
Trifluoromethyl toluidine
CID 2735932
Fluoren-1-amine
CID 22817

Frequently Asked Questions

What is the IUPAC name of 1H-inden-4-amine;methanamine?
The IUPAC name of 1H-inden-4-amine;methanamine (CID 174766313) is 1H-inden-4-amine;methanamine.
What is the SMILES notation for 1H-inden-4-amine;methanamine?
The canonical SMILES for 1H-inden-4-amine;methanamine is CN.CN.CN.Nc1cccc2c1C=CC2.
What is the InChIKey of 1H-inden-4-amine;methanamine?
The InChIKey is LFMVMIIGTUYMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.3CH5N/c10-9-6-2-4-7-3-1-5-8(7)9;3*1-2/h1-2,4-6H,3,10H2;3*2H2,1H3.
What are the key properties of 1H-inden-4-amine;methanamine?
1H-inden-4-amine;methanamine has a molecular weight of 224.35 g/mol, XLogP of 0.56, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-4-amine;methanamine is sourced from PubChem (CID 174766313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).