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

C16H24N2O — CID 55160032

IUPACN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine
SMILESc1ccc2c(c1)CN(CCNC1CCCC1)CCO2
InChIInChI=1S/C16H24N2O/c1-4-8-16-14(5-1)13-18(11-12-19-16)10-9-17-15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2
InChIKeyDQLUMVPDCUKCOS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.41
Rot. Bonds4

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

N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine (PubChem CID 55160032) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine
PubChem CID55160032
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine
SMILESc1ccc2c(c1)CN(CCNC1CCCC1)CCO2
InChIInChI=1S/C16H24N2O/c1-4-8-16-14(5-1)13-18(11-12-19-16)10-9-17-15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2
InChIKeyDQLUMVPDCUKCOS-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexanamine
CID 60743974
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)prop-2-enyl]cyclopropanamine
CID 103070562
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclohexan-1-ol
CID 63192865
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-1-amine
CID 63192695
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 63193083
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylbutanenitrile
CID 63193336
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine
CID 63193082
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine
CID 63192957
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 79611628
4-[[(2S)-pyrrolidin-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 102819521

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine (CID 55160032) is N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine is c1ccc2c(c1)CN(CCNC1CCCC1)CCO2.
What is the InChIKey of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine?
The InChIKey is DQLUMVPDCUKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-8-16-14(5-1)13-18(11-12-19-16)10-9-17-15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2.
What are the key properties of N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine?
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine has a molecular weight of 260.38 g/mol, XLogP of 2.41, 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)ethyl]cyclopentanamine is sourced from PubChem (CID 55160032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).