7-methyl-2,3-dihydrooxepin-5-amine

C7H11NO — CID 177191938

IUPAC7-methyl-2,3-dihydrooxepin-5-amine
SMILESCC1=CC(N)=CCCO1
InChIInChI=1S/C7H11NO/c1-6-5-7(8)3-2-4-9-6/h3,5H,2,4,8H2,1H3
InChIKeyVLXOTZQGCFXRPI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.15
Rot. Bonds

About 7-methyl-2,3-dihydrooxepin-5-amine

7-methyl-2,3-dihydrooxepin-5-amine (PubChem CID 177191938) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 7-methyl-2,3-dihydrooxepin-5-amine.

Molecular Properties

Compound Name7-methyl-2,3-dihydrooxepin-5-amine
PubChem CID177191938
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name7-methyl-2,3-dihydrooxepin-5-amine
SMILESCC1=CC(N)=CCCO1
InChIInChI=1S/C7H11NO/c1-6-5-7(8)3-2-4-9-6/h3,5H,2,4,8H2,1H3
InChIKeyVLXOTZQGCFXRPI-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(deuteriomethyl)-2,3-dihydrofuran
CID 102085462
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
7-methyl-2,3,4,5-tetrahydrooxepine
CID 142050874
2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 102653132
bis(2,3-dihydrofuran-5-yl)-dimethylsilane
CID 12929512
2,3-dihydrofuran-5-yl(dimethyl)silane
CID 71429749
[2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methyl]hydrazine
CID 102654461
(6Z,8Z)-6,8-dimethyl-3,4-dihydro-2H-1,5-dioxonine
CID 10844604
1-(2,3-dihydrofuran-5-yl)pentan-1-amine
CID 102651898
CID 57418780
CID 57418780
(3-aminocyclohexa-1,3-dien-1-yl)methylcarbamic acid
CID 89240351
lithium 2,3-dihydrofuran-5-olate
CID 23663748

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydrooxepin-5-amine?
The IUPAC name of 7-methyl-2,3-dihydrooxepin-5-amine (CID 177191938) is 7-methyl-2,3-dihydrooxepin-5-amine.
What is the SMILES notation for 7-methyl-2,3-dihydrooxepin-5-amine?
The canonical SMILES for 7-methyl-2,3-dihydrooxepin-5-amine is CC1=CC(N)=CCCO1.
What is the InChIKey of 7-methyl-2,3-dihydrooxepin-5-amine?
The InChIKey is VLXOTZQGCFXRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-5-7(8)3-2-4-9-6/h3,5H,2,4,8H2,1H3.
What are the key properties of 7-methyl-2,3-dihydrooxepin-5-amine?
7-methyl-2,3-dihydrooxepin-5-amine has a molecular weight of 125.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydrooxepin-5-amine is sourced from PubChem (CID 177191938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).