1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine

C15H20N4 — CID 114456381

IUPAC1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
SMILESCCCn1cncc1CN1CCc2cccc(N)c21
InChIInChI=1S/C15H20N4/c1-2-7-19-11-17-9-13(19)10-18-8-6-12-4-3-5-14(16)15(12)18/h3-5,9,11H,2,6-8,10,16H2,1H3
InChIKeyMFDNAAGDSCWGQQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.44
Rot. Bonds4

About 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine

1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine (PubChem CID 114456381) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
PubChem CID114456381
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
SMILESCCCn1cncc1CN1CCc2cccc(N)c21
InChIInChI=1S/C15H20N4/c1-2-7-19-11-17-9-13(19)10-18-8-6-12-4-3-5-14(16)15(12)18/h3-5,9,11H,2,6-8,10,16H2,1H3
InChIKeyMFDNAAGDSCWGQQ-UHFFFAOYSA-N
XLogP2.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine (CID 114456381) is 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine is CCCn1cncc1CN1CCc2cccc(N)c21.
What is the InChIKey of 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine?
The InChIKey is MFDNAAGDSCWGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-7-19-11-17-9-13(19)10-18-8-6-12-4-3-5-14(16)15(12)18/h3-5,9,11H,2,6-8,10,16H2,1H3.
What are the key properties of 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine?
1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine has a molecular weight of 256.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).