N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine

C18H25N3 — CID 62282803

IUPACN-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine
SMILESCCCNCc1cc2ccccc2c(N(C)CC2CC2)n1
InChIInChI=1S/C18H25N3/c1-3-10-19-12-16-11-15-6-4-5-7-17(15)18(20-16)21(2)13-14-8-9-14/h4-7,11,14,19H,3,8-10,12-13H2,1-2H3
InChIKeyXZIQYJXZMURYSS-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds7

About N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine

N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine (PubChem CID 62282803) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine
PubChem CID62282803
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine
SMILESCCCNCc1cc2ccccc2c(N(C)CC2CC2)n1
InChIInChI=1S/C18H25N3/c1-3-10-19-12-16-11-15-6-4-5-7-17(15)18(20-16)21(2)13-14-8-9-14/h4-7,11,14,19H,3,8-10,12-13H2,1-2H3
InChIKeyXZIQYJXZMURYSS-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine (CID 62282803) is N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine is CCCNCc1cc2ccccc2c(N(C)CC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine?
The InChIKey is XZIQYJXZMURYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-10-19-12-16-11-15-6-4-5-7-17(15)18(20-16)21(2)13-14-8-9-14/h4-7,11,14,19H,3,8-10,12-13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine?
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 62282803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).