N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine

C17H28N2O — CID 63193003

IUPACN-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CCOc2ccccc2C1
InChIInChI=1S/C17H28N2O/c1-5-15(12-18-17(2,3)4)19-10-11-20-16-9-7-6-8-14(16)13-19/h6-9,15,18H,5,10-13H2,1-4H3
InChIKeyDPJFWALBWUVCEY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds4

About N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine

N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine (PubChem CID 63193003) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
PubChem CID63193003
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CCOc2ccccc2C1
InChIInChI=1S/C17H28N2O/c1-5-15(12-18-17(2,3)4)19-10-11-20-16-9-7-6-8-14(16)13-19/h6-9,15,18H,5,10-13H2,1-4H3
InChIKeyDPJFWALBWUVCEY-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]-2-methylpropan-2-amine
CID 63192958
N-tert-butyl-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
CID 63193087
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentanenitrile
CID 55159835
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
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-yl)propyl]ethanesulfonamide
CID 131930702
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine
CID 63192957
4-[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]phenol
CID 82962513
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]pentan-1-amine
CID 63193314
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4,4-dimethoxybutan-1-amine
CID 66270707
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62438126

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine (CID 63193003) is N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine is CCC(CNC(C)(C)C)N1CCOc2ccccc2C1.
What is the InChIKey of N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine?
The InChIKey is DPJFWALBWUVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15(12-18-17(2,3)4)19-10-11-20-16-9-7-6-8-14(16)13-19/h6-9,15,18H,5,10-13H2,1-4H3.
What are the key properties of N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine?
N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine is sourced from PubChem (CID 63193003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).