[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine

C14H20N2O — CID 113313048

IUPAC[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(CN2CCOc3ccccc3C2)CC1
InChIInChI=1S/C14H20N2O/c15-10-14(5-6-14)11-16-7-8-17-13-4-2-1-3-12(13)9-16/h1-4H,5-11,15H2
InChIKeyCTSYPXXJASIPIU-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.62
Rot. Bonds3

About [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine

[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine (PubChem CID 113313048) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
PubChem CID113313048
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(CN2CCOc3ccccc3C2)CC1
InChIInChI=1S/C14H20N2O/c15-10-14(5-6-14)11-16-7-8-17-13-4-2-1-3-12(13)9-16/h1-4H,5-11,15H2
InChIKeyCTSYPXXJASIPIU-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)oxan-4-yl]methanol
CID 63192954
1-[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 63192686
4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 63193214
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
CID 115453899
[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)oxan-4-yl]methanamine
CID 63152906
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)prop-2-en-1-amine
CID 103070559
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyloxolan-3-amine
CID 66263787
[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine
CID 55051740
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine
CID 65247542
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanimidamide
CID 63193142
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine
CID 65044746

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine (CID 113313048) is [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine is NCC1(CN2CCOc3ccccc3C2)CC1.
What is the InChIKey of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine?
The InChIKey is CTSYPXXJASIPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-10-14(5-6-14)11-16-7-8-17-13-4-2-1-3-12(13)9-16/h1-4H,5-11,15H2.
What are the key properties of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine?
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 1.62, 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-ylmethyl)cyclopropyl]methanamine is sourced from PubChem (CID 113313048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).