4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine

C17H23N3O — CID 106776497

IUPAC4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
SMILESCN(CCOCC1CC1)c1ncc(CN)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-20(8-9-21-12-13-6-7-13)17-16-5-3-2-4-15(16)14(10-18)11-19-17/h2-5,11,13H,6-10,12,18H2,1H3
InChIKeyBIKDHQLRHSHTTA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.56
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine

4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine (PubChem CID 106776497) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
PubChem CID106776497
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
SMILESCN(CCOCC1CC1)c1ncc(CN)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-20(8-9-21-12-13-6-7-13)17-16-5-3-2-4-15(16)14(10-18)11-19-17/h2-5,11,13H,6-10,12,18H2,1H3
InChIKeyBIKDHQLRHSHTTA-UHFFFAOYSA-N
XLogP2.56
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
CID 106775573
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-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine
CID 112699079
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
4-(chloromethyl)-N-(cyclobutylmethyl)-N-methylisoquinolin-1-amine
CID 106769158
5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine
CID 113388560
5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine
CID 80634547

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine?
The IUPAC name of 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine (CID 106776497) is 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine?
The canonical SMILES for 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine is CN(CCOCC1CC1)c1ncc(CN)c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine?
The InChIKey is BIKDHQLRHSHTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(8-9-21-12-13-6-7-13)17-16-5-3-2-4-15(16)14(10-18)11-19-17/h2-5,11,13H,6-10,12,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine?
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine is sourced from PubChem (CID 106776497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).