N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine

C15H22N2O — CID 63192957

IUPACN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CCOc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-12(10-16-14-6-7-14)17-8-9-18-15-5-3-2-4-13(15)11-17/h2-5,12,14,16H,6-11H2,1H3
InChIKeyONPUXUADOUFMAN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine (PubChem CID 63192957) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine
PubChem CID63192957
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CCOc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-12(10-16-14-6-7-14)17-8-9-18-15-5-3-2-4-13(15)11-17/h2-5,12,14,16H,6-11H2,1H3
InChIKeyONPUXUADOUFMAN-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine
CID 63192958
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]ethanesulfonamide
CID 131930702
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63192699
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]pentan-1-amine
CID 63193314
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
N-tert-butyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
CID 63193087
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-2-phenylethanamine
CID 63193002
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)prop-2-enyl]cyclopropanamine
CID 103070562
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine
CID 55160032
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
CID 63193003
4-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 164635188

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine (CID 63192957) is N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine is CC(CNC1CC1)N1CCOc2ccccc2C1.
What is the InChIKey of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine?
The InChIKey is ONPUXUADOUFMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(10-16-14-6-7-14)17-8-9-18-15-5-3-2-4-13(15)11-17/h2-5,12,14,16H,6-11H2,1H3.
What are the key properties of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine?
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine has a molecular weight of 246.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 63192957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).