N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine

C17H23N3 — CID 106776241

IUPACN-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
SMILESCCN(CC1CC1)c1ncc(CNC)c2ccccc12
InChIInChI=1S/C17H23N3/c1-3-20(12-13-8-9-13)17-16-7-5-4-6-15(16)14(10-18-2)11-19-17/h4-7,11,13,18H,3,8-10,12H2,1-2H3
InChIKeyFRBPPNJPQDRKQI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.19
Rot. Bonds6

About N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine

N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine (PubChem CID 106776241) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
PubChem CID106776241
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
SMILESCCN(CC1CC1)c1ncc(CNC)c2ccccc12
InChIInChI=1S/C17H23N3/c1-3-20(12-13-8-9-13)17-16-7-5-4-6-15(16)14(10-18-2)11-19-17/h4-7,11,13,18H,3,8-10,12H2,1-2H3
InChIKeyFRBPPNJPQDRKQI-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
CID 106775573
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073981
N-methyl-4-(methylaminomethyl)-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775168
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846
N-(cyclobutylmethyl)-N-ethyl-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 107399895
N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine
CID 79719670
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
CID 106775153
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
N-(cyclobutylmethyl)-N-ethyl-3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-amine
CID 107399992

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine (CID 106776241) is N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine is CCN(CC1CC1)c1ncc(CNC)c2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine?
The InChIKey is FRBPPNJPQDRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-20(12-13-8-9-13)17-16-7-5-4-6-15(16)14(10-18-2)11-19-17/h4-7,11,13,18H,3,8-10,12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine?
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 106776241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).