N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H23N3 — CID 82821543

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC(Cn1ccnc1)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C17H23N3/c1-13(11-20-9-8-18-12-20)19-16-15-7-5-4-6-14(15)10-17(16,2)3/h4-9,12-13,16,19H,10-11H2,1-3H3
InChIKeyLECRJIOZZOYMCJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.18
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82821543) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82821543
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC(Cn1ccnc1)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C17H23N3/c1-13(11-20-9-8-18-12-20)19-16-15-7-5-4-6-14(15)10-17(16,2)3/h4-9,12-13,16,19H,10-11H2,1-3H3
InChIKeyLECRJIOZZOYMCJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 61479477
1-[(1R)-2,2-dimethyl-1,3-dihydroinden-1-yl]imidazole
CID 67546726
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927780
4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 103910363
2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine
CID 82821548
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
N-(1-imidazol-1-ylpropan-2-yl)thiolan-3-amine
CID 43749649
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565274

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82821543) is N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CC(Cn1ccnc1)NC1c2ccccc2CC1(C)C.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is LECRJIOZZOYMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(11-20-9-8-18-12-20)19-16-15-7-5-4-6-14(15)10-17(16,2)3/h4-9,12-13,16,19H,10-11H2,1-3H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).