N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide

C14H17N3O — CID 63755212

IUPACN-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide
SMILESCC(N)CN(C)C(=O)c1nccc2ccccc12
InChIInChI=1S/C14H17N3O/c1-10(15)9-17(2)14(18)13-12-6-4-3-5-11(12)7-8-16-13/h3-8,10H,9,15H2,1-2H3
InChIKeyPRMLPTAWNKCBAL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.65
Rot. Bonds3

About N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide

N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide (PubChem CID 63755212) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide
PubChem CID63755212
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide
SMILESCC(N)CN(C)C(=O)c1nccc2ccccc12
InChIInChI=1S/C14H17N3O/c1-10(15)9-17(2)14(18)13-12-6-4-3-5-11(12)7-8-16-13/h3-8,10H,9,15H2,1-2H3
InChIKeyPRMLPTAWNKCBAL-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide?
The IUPAC name of N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide (CID 63755212) is N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide is CC(N)CN(C)C(=O)c1nccc2ccccc12.
What is the InChIKey of N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide?
The InChIKey is PRMLPTAWNKCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(15)9-17(2)14(18)13-12-6-4-3-5-11(12)7-8-16-13/h3-8,10H,9,15H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide?
N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide is sourced from PubChem (CID 63755212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).