[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone

C18H22N2O — CID 103133490

IUPAC[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
SMILESNCC1(C(=O)c2cccc3ccncc23)CCCCCC1
InChIInChI=1S/C18H22N2O/c19-13-18(9-3-1-2-4-10-18)17(21)15-7-5-6-14-8-11-20-12-16(14)15/h5-8,11-12H,1-4,9-10,13,19H2
InChIKeyFAQYLXYCNZGCPW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.72
Rot. Bonds3

About [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone

[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone (PubChem CID 103133490) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
PubChem CID103133490
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
SMILESNCC1(C(=O)c2cccc3ccncc23)CCCCCC1
InChIInChI=1S/C18H22N2O/c19-13-18(9-3-1-2-4-10-18)17(21)15-7-5-6-14-8-11-20-12-16(14)15/h5-8,11-12H,1-4,9-10,13,19H2
InChIKeyFAQYLXYCNZGCPW-UHFFFAOYSA-N
XLogP3.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
[1-(aminomethyl)cycloheptyl]-quinolin-8-ylmethanone
CID 116602174
[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
CID 116600758
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116600912
1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312
cyclohexyl(isoquinolin-8-yl)methanone
CID 103134088
isoquinolin-8-yl-(4-methoxyoxan-4-yl)methanone
CID 103143395
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
isoquinoline-8-carboxylate
CID 86306452
(1-ethoxycyclohexyl)-isoquinolin-5-ylmethanone
CID 116748456

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone (CID 103133490) is [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone is NCC1(C(=O)c2cccc3ccncc23)CCCCCC1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone?
The InChIKey is FAQYLXYCNZGCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-13-18(9-3-1-2-4-10-18)17(21)15-7-5-6-14-8-11-20-12-16(14)15/h5-8,11-12H,1-4,9-10,13,19H2.
What are the key properties of [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone?
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone has a molecular weight of 282.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone is sourced from PubChem (CID 103133490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).