1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

C17H22N2 — CID 103823588

IUPAC1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNCc2cncc3ccccc23)CC1
InChIInChI=1S/C17H22N2/c1-13(2)17(7-8-17)12-19-11-15-10-18-9-14-5-3-4-6-16(14)15/h3-6,9-10,13,19H,7-8,11-12H2,1-2H3
InChIKeyDQUFWGKIRDEADB-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.76
Rot. Bonds5

About 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (PubChem CID 103823588) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
PubChem CID103823588
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNCc2cncc3ccccc23)CC1
InChIInChI=1S/C17H22N2/c1-13(2)17(7-8-17)12-19-11-15-10-18-9-14-5-3-4-6-16(14)15/h3-6,9-10,13,19H,7-8,11-12H2,1-2H3
InChIKeyDQUFWGKIRDEADB-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(isoquinolin-4-ylmethyl)-2-phenylpropan-1-amine
CID 115748187
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 103823450
N-(isoquinolin-4-ylmethyl)pent-4-en-2-amine
CID 115748456
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748158
4-[(isoquinolin-4-ylmethylamino)methyl]phenol
CID 115748371
2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748530
3-(isoquinolin-4-ylmethylamino)-2,2-dimethylpropanenitrile
CID 104587163
(1R)-N-(isoquinolin-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 104503955
N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115908048

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (CID 103823588) is 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is CC(C)C1(CNCc2cncc3ccccc23)CC1.
What is the InChIKey of 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The InChIKey is DQUFWGKIRDEADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)17(7-8-17)12-19-11-15-10-18-9-14-5-3-4-6-16(14)15/h3-6,9-10,13,19H,7-8,11-12H2,1-2H3.
What are the key properties of 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103823588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).