4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine

C17H25N3 — CID 106775822

IUPAC4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
SMILESCC(C)CC(C)N(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C17H25N3/c1-12(2)9-13(3)20(4)17-16-8-6-5-7-15(16)14(10-18)11-19-17/h5-8,11-13H,9-10,18H2,1-4H3
InChIKeyWTSQEHHIWISLDH-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.56
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine

4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine (PubChem CID 106775822) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
PubChem CID106775822
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
SMILESCC(C)CC(C)N(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C17H25N3/c1-12(2)9-13(3)20(4)17-16-8-6-5-7-15(16)14(10-18)11-19-17/h5-8,11-13H,9-10,18H2,1-4H3
InChIKeyWTSQEHHIWISLDH-UHFFFAOYSA-N
XLogP3.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
CID 43669369
(1-methylisoquinolin-4-yl)methanamine
CID 105435219
4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
CID 106775573
4-(aminomethyl)-N-tert-butyl-N-prop-2-enylisoquinolin-1-amine
CID 106776621

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine (CID 106775822) is 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine is CC(C)CC(C)N(C)c1ncc(CN)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine?
The InChIKey is WTSQEHHIWISLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)9-13(3)20(4)17-16-8-6-5-7-15(16)14(10-18)11-19-17/h5-8,11-13H,9-10,18H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine?
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.56, 5 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-(4-methylpentan-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 106775822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).