N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine

C14H18N4 — CID 59468770

IUPACN-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine
SMILESCNc1ccc2c(c1)N(Cc1cn(C)cn1)CC2
InChIInChI=1S/C14H18N4/c1-15-12-4-3-11-5-6-18(14(11)7-12)9-13-8-17(2)10-16-13/h3-4,7-8,10,15H,5-6,9H2,1-2H3
InChIKeyRVUMRQIMFJYDKQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine

N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine (PubChem CID 59468770) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound NameN-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine
PubChem CID59468770
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine
SMILESCNc1ccc2c(c1)N(Cc1cn(C)cn1)CC2
InChIInChI=1S/C14H18N4/c1-15-12-4-3-11-5-6-18(14(11)7-12)9-13-8-17(2)10-16-13/h3-4,7-8,10,15H,5-6,9H2,1-2H3
InChIKeyRVUMRQIMFJYDKQ-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine (CID 59468770) is N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine is CNc1ccc2c(c1)N(Cc1cn(C)cn1)CC2.
What is the InChIKey of N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is RVUMRQIMFJYDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-15-12-4-3-11-5-6-18(14(11)7-12)9-13-8-17(2)10-16-13/h3-4,7-8,10,15H,5-6,9H2,1-2H3.
What are the key properties of N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine?
N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 242.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 59468770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).