N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine

C15H25N3O — CID 62064407

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(Cn1ccnc1)NCC1CCC=CO1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14(11-18-8-7-16-12-18)17-10-13-6-4-5-9-19-13/h5,7-9,12-14,17H,4,6,10-11H2,1-3H3
InChIKeyAKTIJDOADKPMNM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine (PubChem CID 62064407) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
PubChem CID62064407
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(Cn1ccnc1)NCC1CCC=CO1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14(11-18-8-7-16-12-18)17-10-13-6-4-5-9-19-13/h5,7-9,12-14,17H,4,6,10-11H2,1-3H3
InChIKeyAKTIJDOADKPMNM-UHFFFAOYSA-N
XLogP2.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine (CID 62064407) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine is CC(C)(C)C(Cn1ccnc1)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The InChIKey is AKTIJDOADKPMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)14(11-18-8-7-16-12-18)17-10-13-6-4-5-9-19-13/h5,7-9,12-14,17H,4,6,10-11H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 62064407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).