N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine

C15H19N3 — CID 54961387

IUPACN-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1cn(CCCNc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C15H19N3/c1-3-13-5-6-15(11-14(13)4-1)17-7-2-9-18-10-8-16-12-18/h5-6,8,10-12,17H,1-4,7,9H2
InChIKeyHQDULXQMWHEQSC-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.87
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine

N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 54961387) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID54961387
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1cn(CCCNc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C15H19N3/c1-3-13-5-6-15(11-14(13)4-1)17-7-2-9-18-10-8-16-12-18/h5-6,8,10-12,17H,1-4,7,9H2
InChIKeyHQDULXQMWHEQSC-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82539232
N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695962
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 72907827
N-(3-imidazol-1-ylpropyl)-3,4,5-trimethoxyaniline
CID 61494818

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine (CID 54961387) is N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine is c1cn(CCCNc2ccc3c(c2)CCC3)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is HQDULXQMWHEQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-13-5-6-15(11-14(13)4-1)17-7-2-9-18-10-8-16-12-18/h5-6,8,10-12,17H,1-4,7,9H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine?
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 241.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 54961387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).