4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine

C15H19N3 — CID 106776889

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
SMILESC=C(C)CN(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C15H19N3/c1-11(2)10-18(3)15-14-7-5-4-6-13(14)12(8-16)9-17-15/h4-7,9H,1,8,10,16H2,2-3H3
InChIKeyXOSFMSFZZAXOBZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.71
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine

4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine (PubChem CID 106776889) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
PubChem CID106776889
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
SMILESC=C(C)CN(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C15H19N3/c1-11(2)10-18(3)15-14-7-5-4-6-13(14)12(8-16)9-17-15/h4-7,9H,1,8,10,16H2,2-3H3
InChIKeyXOSFMSFZZAXOBZ-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106775822
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
CID 106776497
4-(aminomethyl)-N-tert-butyl-N-prop-2-enylisoquinolin-1-amine
CID 106776621
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
(1-methylisoquinolin-4-yl)methanamine
CID 105435219
3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine
CID 102987357

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine (CID 106776889) is 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine is C=C(C)CN(C)c1ncc(CN)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine?
The InChIKey is XOSFMSFZZAXOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(2)10-18(3)15-14-7-5-4-6-13(14)12(8-16)9-17-15/h4-7,9H,1,8,10,16H2,2-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine?
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine is sourced from PubChem (CID 106776889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).