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

C17H26N2O — CID 63193082

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CN1CCOc2ccccc2C1
InChIInChI=1S/C17H26N2O/c1-2-18-16-8-5-7-14(16)12-19-10-11-20-17-9-4-3-6-15(17)13-19/h3-4,6,9,14,16,18H,2,5,7-8,10-13H2,1H3
InChIKeyQYZSPYMPMADYLE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds4

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

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine (PubChem CID 63193082) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine
PubChem CID63193082
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CN1CCOc2ccccc2C1
InChIInChI=1S/C17H26N2O/c1-2-18-16-8-5-7-14(16)12-19-10-11-20-17-9-4-3-6-15(17)13-19/h3-4,6,9,14,16,18H,2,5,7-8,10-13H2,1H3
InChIKeyQYZSPYMPMADYLE-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 63193083
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclohexan-1-ol
CID 63192865
N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615234
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N,2,2-trimethylcyclopentan-1-amine
CID 79867257
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
4-[[(2S)-pyrrolidin-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 102819521
N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclopentanamine
CID 55160032
N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-amine
CID 63153039
1-[[2-(ethylamino)cyclopentyl]methyl]-3-methylpiperidin-4-ol
CID 114681897
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-1-amine
CID 63192695
[4-[[2-(ethylamino)cyclohexyl]methyl]morpholin-2-yl]methanol
CID 81213867
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64735267

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine (CID 63193082) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine is CCNC1CCCC1CN1CCOc2ccccc2C1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine?
The InChIKey is QYZSPYMPMADYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-18-16-8-5-7-14(16)12-19-10-11-20-17-9-4-3-6-15(17)13-19/h3-4,6,9,14,16,18H,2,5,7-8,10-13H2,1H3.
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.66, 4 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-ethylcyclopentan-1-amine is sourced from PubChem (CID 63193082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).