[5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine

C13H23N3O — CID 65286962

IUPAC[5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCC1(C)CCCN(Cc2cc(CN)no2)CC1
InChIInChI=1S/C13H23N3O/c1-13(2)4-3-6-16(7-5-13)10-12-8-11(9-14)15-17-12/h8H,3-7,9-10,14H2,1-2H3
InChIKeyONWFYWSWTNIYTB-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.15
Rot. Bonds3

About [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine

[5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 65286962) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID65286962
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCC1(C)CCCN(Cc2cc(CN)no2)CC1
InChIInChI=1S/C13H23N3O/c1-13(2)4-3-6-16(7-5-13)10-12-8-11(9-14)15-17-12/h8H,3-7,9-10,14H2,1-2H3
InChIKeyONWFYWSWTNIYTB-UHFFFAOYSA-N
XLogP2.15
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine (CID 65286962) is [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine is CC1(C)CCCN(Cc2cc(CN)no2)CC1.
What is the InChIKey of [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is ONWFYWSWTNIYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2)4-3-6-16(7-5-13)10-12-8-11(9-14)15-17-12/h8H,3-7,9-10,14H2,1-2H3.
What are the key properties of [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
[5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4,4-dimethylazepan-1-yl)methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 65286962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).