N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole

C14H24N4O — CID 90770094

IUPACN-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole
SMILESCC.CC(=O)N=C(N)N.CN1C=CC2C=CC=CC21
InChIInChI=1S/C9H11N.C3H7N3O.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-2(7)6-3(4)5;1-2/h2-9H,1H3;1H3,(H4,4,5,6,7);1-2H3
InChIKeyLCPNICXOFWDBBX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.39
Rot. Bonds

About N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole

N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole (PubChem CID 90770094) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole.

Molecular Properties

Compound NameN-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole
PubChem CID90770094
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole
SMILESCC.CC(=O)N=C(N)N.CN1C=CC2C=CC=CC21
InChIInChI=1S/C9H11N.C3H7N3O.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-2(7)6-3(4)5;1-2/h2-9H,1H3;1H3,(H4,4,5,6,7);1-2H3
InChIKeyLCPNICXOFWDBBX-UHFFFAOYSA-N
XLogP1.39
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole?
The IUPAC name of N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole (CID 90770094) is N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole.
What is the SMILES notation for N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole?
The canonical SMILES for N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole is CC.CC(=O)N=C(N)N.CN1C=CC2C=CC=CC21.
What is the InChIKey of N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole?
The InChIKey is LCPNICXOFWDBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C3H7N3O.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-2(7)6-3(4)5;1-2/h2-9H,1H3;1H3,(H4,4,5,6,7);1-2H3.
What are the key properties of N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole?
N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole has a molecular weight of 264.37 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)acetamide;ethane;1-methyl-3a,7a-dihydroindole is sourced from PubChem (CID 90770094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).