4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine

C17H19N3 — CID 106776535

IUPAC4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine
SMILESC#CCN(C)c1ncc(CNC2CC2)c2ccccc12
InChIInChI=1S/C17H19N3/c1-3-10-20(2)17-16-7-5-4-6-15(16)13(12-19-17)11-18-14-8-9-14/h1,4-7,12,14,18H,8-11H2,2H3
InChIKeyUUFMWVQHXYHMOB-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.56
Rot. Bonds5

About 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine

4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine (PubChem CID 106776535) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine
PubChem CID106776535
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine
SMILESC#CCN(C)c1ncc(CNC2CC2)c2ccccc12
InChIInChI=1S/C17H19N3/c1-3-10-20(2)17-16-7-5-4-6-15(16)13(12-19-17)11-18-14-8-9-14/h1,4-7,12,14,18H,8-11H2,2H3
InChIKeyUUFMWVQHXYHMOB-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
CID 106774817
N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-ynylisoquinolin-1-amine
CID 106776537
N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine
CID 106776790
4-(ethylaminomethyl)-N-propyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776565
4-(chloromethyl)-N-(cyclobutylmethyl)-N-methylisoquinolin-1-amine
CID 106769158
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947
N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
CID 106777587
N-(2,2-difluoroethyl)-N-methyl-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776918
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
N-methyl-4-(methylaminomethyl)-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775168
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
CID 106775153

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine (CID 106776535) is 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine is C#CCN(C)c1ncc(CNC2CC2)c2ccccc12.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine?
The InChIKey is UUFMWVQHXYHMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-10-20(2)17-16-7-5-4-6-15(16)13(12-19-17)11-18-14-8-9-14/h1,4-7,12,14,18H,8-11H2,2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine?
4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine is sourced from PubChem (CID 106776535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).