N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine

C18H25N3 — CID 93276734

IUPACN-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)(C)[C@@H](Cn1ccnc1)NC1Cc2ccccc2C1
InChIInChI=1S/C18H25N3/c1-18(2,3)17(12-21-9-8-19-13-21)20-16-10-14-6-4-5-7-15(14)11-16/h4-9,13,16-17,20H,10-12H2,1-3H3/t17-/m1/s1
InChIKeyIQMJACVRPBEKJS-QGZVFWFLSA-N
MW283.42 g/mol
LogP3.05
Rot. Bonds4

About N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine

N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 93276734) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
PubChem CID93276734
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)(C)[C@@H](Cn1ccnc1)NC1Cc2ccccc2C1
InChIInChI=1S/C18H25N3/c1-18(2,3)17(12-21-9-8-19-13-21)20-16-10-14-6-4-5-7-15(14)11-16/h4-9,13,16-17,20H,10-12H2,1-3H3/t17-/m1/s1
InChIKeyIQMJACVRPBEKJS-QGZVFWFLSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine with MolForge

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Related Compounds

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
CID 104859696
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 43749450
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853293
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine
CID 43749491
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyloxolan-3-amine
CID 113289616
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466320
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine
CID 43749574
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 56867771
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 119060884
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65044347

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine (CID 93276734) is N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine is CC(C)(C)[C@@H](Cn1ccnc1)NC1Cc2ccccc2C1.
What is the InChIKey of N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is IQMJACVRPBEKJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)17(12-21-9-8-19-13-21)20-16-10-14-6-4-5-7-15(14)11-16/h4-9,13,16-17,20H,10-12H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine?
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 93276734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).