2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine

C17H25N3O — CID 83035394

IUPAC2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1nc2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-12(18-13-9-10-21-17(2,3)11-13)16-19-14-7-5-6-8-15(14)20(16)4/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeyGRMKFTXSBIVWQK-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.18
Rot. Bonds3

About 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine

2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine (PubChem CID 83035394) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine
PubChem CID83035394
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1nc2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-12(18-13-9-10-21-17(2,3)11-13)16-19-14-7-5-6-8-15(14)20(16)4/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeyGRMKFTXSBIVWQK-UHFFFAOYSA-N
XLogP3.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,1-dioxothian-4-amine
CID 43614991
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103911011
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 43196258
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]cyclopropanesulfonamide
CID 125436765
1-(1-methylbenzimidazol-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538077

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine (CID 83035394) is 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine is CC(NC1CCOC(C)(C)C1)c1nc2ccccc2n1C.
What is the InChIKey of 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine?
The InChIKey is GRMKFTXSBIVWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(18-13-9-10-21-17(2,3)11-13)16-19-14-7-5-6-8-15(14)20(16)4/h5-8,12-13,18H,9-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine?
2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 83035394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).