N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine

C18H25N3 — CID 106775153

IUPACN-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
SMILESCCCNCc1cnc(N(CC)C2CC2)c2ccccc12
InChIInChI=1S/C18H25N3/c1-3-11-19-12-14-13-20-18(21(4-2)15-9-10-15)17-8-6-5-7-16(14)17/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeyXSACLODJOCIWTJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds7

About N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine

N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine (PubChem CID 106775153) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
PubChem CID106775153
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
SMILESCCCNCc1cnc(N(CC)C2CC2)c2ccccc12
InChIInChI=1S/C18H25N3/c1-3-11-19-12-14-13-20-18(21(4-2)15-9-10-15)17-8-6-5-7-16(14)17/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeyXSACLODJOCIWTJ-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-cyclopentyl-N-ethylisoquinolin-1-amine
CID 106768996
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
CID 106768094
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
N-[(1-imidazol-1-ylisoquinolin-4-yl)methyl]propan-1-amine
CID 106777122
4-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775170
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
CID 81248139
N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
CID 106774817
N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 114035229

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine (CID 106775153) is N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine is CCCNCc1cnc(N(CC)C2CC2)c2ccccc12.
What is the InChIKey of N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine?
The InChIKey is XSACLODJOCIWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-11-19-12-14-13-20-18(21(4-2)15-9-10-15)17-8-6-5-7-16(14)17/h5-8,13,15,19H,3-4,9-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine?
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 106775153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).