1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol

C18H28N2O — CID 79587545

IUPAC1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCN1CCCCc2ccccc21
InChIInChI=1S/C18H28N2O/c19-14-18(21)11-5-8-16(18)10-13-20-12-4-3-7-15-6-1-2-9-17(15)20/h1-2,6,9,16,21H,3-5,7-8,10-14,19H2
InChIKeyZVLQKMYIXXVFNR-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.71
Rot. Bonds4

About 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol (PubChem CID 79587545) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol
PubChem CID79587545
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCN1CCCCc2ccccc21
InChIInChI=1S/C18H28N2O/c19-14-18(21)11-5-8-16(18)10-13-20-12-4-3-7-15-6-1-2-9-17(15)20/h1-2,6,9,16,21H,3-5,7-8,10-14,19H2
InChIKeyZVLQKMYIXXVFNR-UHFFFAOYSA-N
XLogP2.71
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol
CID 79587863
1-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79577598
2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine
CID 82768575
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol
CID 79587666
[1-(3,4-dihydro-2H-quinolin-1-ylmethyl)cyclopentyl]methanamine
CID 55051906
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 66472298
1-(aminomethyl)-2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79588423
1-(aminomethyl)-2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79587379
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol
CID 178185671

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol (CID 79587545) is 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol is NCC1(O)CCCC1CCN1CCCCc2ccccc21.
What is the InChIKey of 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol?
The InChIKey is ZVLQKMYIXXVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c19-14-18(21)11-5-8-16(18)10-13-20-12-4-3-7-15-6-1-2-9-17(15)20/h1-2,6,9,16,21H,3-5,7-8,10-14,19H2.
What are the key properties of 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).