2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine

C18H28N2O — CID 63193083

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN1CCOc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-2-10-19-17-8-5-7-15(17)13-20-11-12-21-18-9-4-3-6-16(18)14-20/h3-4,6,9,15,17,19H,2,5,7-8,10-14H2,1H3
InChIKeyUKLAAZFLZZPVLV-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.05
Rot. Bonds5

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine (PubChem CID 63193083) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine
PubChem CID63193083
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN1CCOc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-2-10-19-17-8-5-7-15(17)13-20-11-12-21-18-9-4-3-6-16(18)14-20/h3-4,6,9,15,17,19H,2,5,7-8,10-14H2,1H3
InChIKeyUKLAAZFLZZPVLV-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine (CID 63193083) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1CN1CCOc2ccccc2C1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine?
The InChIKey is UKLAAZFLZZPVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-10-19-17-8-5-7-15(17)13-20-11-12-21-18-9-4-3-6-16(18)14-20/h3-4,6,9,15,17,19H,2,5,7-8,10-14H2,1H3.
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 63193083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).