1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine

C15H20N4 — CID 79724117

IUPAC1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCCn1ccnc1
InChIInChI=1S/C15H20N4/c16-13-3-4-14-12(10-13)2-5-15(14)18-6-1-8-19-9-7-17-11-19/h3-4,7,9-11,15,18H,1-2,5-6,8,16H2
InChIKeyLHBLLFSQFASFFZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.13
Rot. Bonds5

About 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79724117) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79724117
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCCn1ccnc1
InChIInChI=1S/C15H20N4/c16-13-3-4-14-12(10-13)2-5-15(14)18-6-1-8-19-9-7-17-11-19/h3-4,7,9-11,15,18H,1-2,5-6,8,16H2
InChIKeyLHBLLFSQFASFFZ-UHFFFAOYSA-N
XLogP2.13
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300652
N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772810
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-imidazol-1-ylpropyl)quinoline-2,6-diamine
CID 68918017
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79737097
6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461660
(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 97109946
5-bromo-N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 112700049
N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82461492
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
1-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740841
1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114153405

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79724117) is 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCCCn1ccnc1.
What is the InChIKey of 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is LHBLLFSQFASFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-13-3-4-14-12(10-13)2-5-15(14)18-6-1-8-19-9-7-17-11-19/h3-4,7,9-11,15,18H,1-2,5-6,8,16H2.
What are the key properties of 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79724117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).