[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine

C14H16N2 — CID 117303212

IUPAC[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine
SMILESCc1nccc2cc(C3(CN)CC3)ccc12
InChIInChI=1S/C14H16N2/c1-10-13-3-2-12(14(9-15)5-6-14)8-11(13)4-7-16-10/h2-4,7-8H,5-6,9,15H2,1H3
InChIKeyXIMLXSAVVBJQPJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.53
Rot. Bonds2

About [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine

[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine (PubChem CID 117303212) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine
PubChem CID117303212
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine
SMILESCc1nccc2cc(C3(CN)CC3)ccc12
InChIInChI=1S/C14H16N2/c1-10-13-3-2-12(14(9-15)5-6-14)8-11(13)4-7-16-10/h2-4,7-8H,5-6,9,15H2,1H3
InChIKeyXIMLXSAVVBJQPJ-UHFFFAOYSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
CID 117358088
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206
[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine
CID 117325791
1,6-dimethylisoquinoline;ethane
CID 156751069
6-bromo-1-methylisoquinoline
CID 74889121
(1-methylisoquinolin-6-yl)methanol
CID 117277021
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
CID 82491574
[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine
CID 117281667
[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine
CID 117424911
6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one
CID 116997657
[1-(3-methyl-1,2-benzothiazol-5-yl)cyclohexyl]methanamine
CID 117405805

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine (CID 117303212) is [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine is Cc1nccc2cc(C3(CN)CC3)ccc12.
What is the InChIKey of [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine?
The InChIKey is XIMLXSAVVBJQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-13-3-2-12(14(9-15)5-6-14)8-11(13)4-7-16-10/h2-4,7-8H,5-6,9,15H2,1H3.
What are the key properties of [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine?
[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine has a molecular weight of 212.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117303212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).