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

C15H22N2O — CID 113366586

IUPACN-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine
SMILESc1ccc2c(c1)OCCCN2CCCNC1CC1
InChIInChI=1S/C15H22N2O/c1-2-6-15-14(5-1)17(11-4-12-18-15)10-3-9-16-13-7-8-13/h1-2,5-6,13,16H,3-4,7-12H2
InChIKeyOJNFGWSIHCSTQO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.42
Rot. Bonds5

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

N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine (PubChem CID 113366586) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine
PubChem CID113366586
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine
SMILESc1ccc2c(c1)OCCCN2CCCNC1CC1
InChIInChI=1S/C15H22N2O/c1-2-6-15-14(5-1)17(11-4-12-18-15)10-3-9-16-13-7-8-13/h1-2,5-6,13,16H,3-4,7-12H2
InChIKeyOJNFGWSIHCSTQO-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine
CID 113366675
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
N-benzyl-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 59700590
N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
5-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine
CID 112706602
ethyl 3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propanoate
CID 112706613
N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
CID 54902685
4-[3-(cyclopropylamino)propyl]-2-methyl-1,4-benzoxazin-3-one
CID 61387974
4-(2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 119134717
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine
CID 55160032
1-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245
N-cyclopentyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carbothioamide
CID 116509884

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine (CID 113366586) is N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine is c1ccc2c(c1)OCCCN2CCCNC1CC1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine?
The InChIKey is OJNFGWSIHCSTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-6-15-14(5-1)17(11-4-12-18-15)10-3-9-16-13-7-8-13/h1-2,5-6,13,16H,3-4,7-12H2.
What are the key properties of N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine?
N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine has a molecular weight of 246.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 113366586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).