N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C17H25N3O — CID 115466320

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)(C)C(Cn1ccnc1)NC1CCCc2occc21
InChIInChI=1S/C17H25N3O/c1-17(2,3)16(11-20-9-8-18-12-20)19-14-5-4-6-15-13(14)7-10-21-15/h7-10,12,14,16,19H,4-6,11H2,1-3H3
InChIKeyQKZKPENDADHGJM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.56
Rot. Bonds4

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466320) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466320
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)(C)C(Cn1ccnc1)NC1CCCc2occc21
InChIInChI=1S/C17H25N3O/c1-17(2,3)16(11-20-9-8-18-12-20)19-14-5-4-6-15-13(14)7-10-21-15/h7-10,12,14,16,19H,4-6,11H2,1-3H3
InChIKeyQKZKPENDADHGJM-UHFFFAOYSA-N
XLogP3.56
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine with MolForge

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104827925
(4S)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 129402233
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)-4-propylcyclohexan-1-amine
CID 43749450
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyloxolan-3-amine
CID 113289616
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734
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)-3-methylcyclobutan-1-amine
CID 104859696
1-N,1-N,3-trimethyl-2-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butane-1,2-diamine
CID 113315175
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466137
N-[1-(furan-2-yl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63100256
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-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466320) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(C)(C)C(Cn1ccnc1)NC1CCCc2occc21.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is QKZKPENDADHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)16(11-20-9-8-18-12-20)19-14-5-4-6-15-13(14)7-10-21-15/h7-10,12,14,16,19H,4-6,11H2,1-3H3.
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).