[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine

C17H26N2O — CID 103562896

IUPAC[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine
SMILESCC(C)C1CC(CN)(N2CCOc3ccccc3C2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)15-9-17(10-15,12-18)19-7-8-20-16-6-4-3-5-14(16)11-19/h3-6,13,15H,7-12,18H2,1-2H3
InChIKeyIKWFNFMAVGQTJM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds3

About [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine

[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine (PubChem CID 103562896) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine
PubChem CID103562896
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine
SMILESCC(C)C1CC(CN)(N2CCOc3ccccc3C2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)15-9-17(10-15,12-18)19-7-8-20-16-6-4-3-5-14(16)11-19/h3-6,13,15H,7-12,18H2,1-2H3
InChIKeyIKWFNFMAVGQTJM-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine with MolForge

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Related Compounds

[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79953997
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine
CID 65044746
[1-(1,3-dihydroisoindol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62704480
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
CID 113313048
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol
CID 103565551
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropanimidamide
CID 63193188
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpropan-2-amine
CID 63189675
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)hexan-2-amine
CID 63189422
1-cyclopropyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-amine
CID 112735507
4-(5,5-dimethylpyrrolidin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 82014137

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine?
The IUPAC name of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine (CID 103562896) is [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine?
The canonical SMILES for [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine is CC(C)C1CC(CN)(N2CCOc3ccccc3C2)C1.
What is the InChIKey of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine?
The InChIKey is IKWFNFMAVGQTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)15-9-17(10-15,12-18)19-7-8-20-16-6-4-3-5-14(16)11-19/h3-6,13,15H,7-12,18H2,1-2H3.
What are the key properties of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine?
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine is sourced from PubChem (CID 103562896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).