(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

C16H22N2O — CID 64824668

IUPAC(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESNC1CCCC1C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C16H22N2O/c17-15-9-3-8-14(15)16(19)18-10-4-7-12-5-1-2-6-13(12)11-18/h1-2,5-6,14-15H,3-4,7-11,17H2
InChIKeyCPGJUTOTOKORBG-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.09
Rot. Bonds1

About (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (PubChem CID 64824668) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
PubChem CID64824668
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESNC1CCCC1C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C16H22N2O/c17-15-9-3-8-14(15)16(19)18-10-4-7-12-5-1-2-6-13(12)11-18/h1-2,5-6,14-15H,3-4,7-11,17H2
InChIKeyCPGJUTOTOKORBG-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 64824026
cis-(1R,3S)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 124606569
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone
CID 110015718
(2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 114999401
(2-aminocyclopentyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119679759
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
CID 76986559
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303
[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63153884

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (CID 64824668) is (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is NC1CCCC1C(=O)N1CCCc2ccccc2C1.
What is the InChIKey of (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The InChIKey is CPGJUTOTOKORBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-15-9-3-8-14(15)16(19)18-10-4-7-12-5-1-2-6-13(12)11-18/h1-2,5-6,14-15H,3-4,7-11,17H2.
What are the key properties of (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is sourced from PubChem (CID 64824668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).