N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine

C18H25N3 — CID 62283095

IUPACN-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine
SMILESCCNCc1cc2ccccc2c(N(C)C(C)C2CC2)n1
InChIInChI=1S/C18H25N3/c1-4-19-12-16-11-15-7-5-6-8-17(15)18(20-16)21(3)13(2)14-9-10-14/h5-8,11,13-14,19H,4,9-10,12H2,1-3H3
InChIKeyXEBNPWDBVJMZIG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds6

About N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine

N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine (PubChem CID 62283095) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine
PubChem CID62283095
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine
SMILESCCNCc1cc2ccccc2c(N(C)C(C)C2CC2)n1
InChIInChI=1S/C18H25N3/c1-4-19-12-16-11-15-7-5-6-8-17(15)18(20-16)21(3)13(2)14-9-10-14/h5-8,11,13-14,19H,4,9-10,12H2,1-3H3
InChIKeyXEBNPWDBVJMZIG-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

3-(chloromethyl)-N-(1-cyclopropylethyl)-N-methylisoquinolin-1-amine
CID 61257014
3-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)isoquinolin-1-amine
CID 62283844
N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 62279501
4-N-(1-cyclopropylethyl)-4-N-methyl-2-N-propylquinazoline-2,4-diamine
CID 80774231
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
N-(1-cyclopropylethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 43569387
N-(1-cyclopropylethyl)-6-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 66457612
N-methyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)isoquinolin-1-amine
CID 115987716
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)isoquinolin-1-amine
CID 62282803
2-[[3-(hydroxymethyl)isoquinolin-1-yl]-methylamino]propan-1-ol
CID 104553842
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 62291335
N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine
CID 113378121

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine (CID 62283095) is N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine is CCNCc1cc2ccccc2c(N(C)C(C)C2CC2)n1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine?
The InChIKey is XEBNPWDBVJMZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-19-12-16-11-15-7-5-6-8-17(15)18(20-16)21(3)13(2)14-9-10-14/h5-8,11,13-14,19H,4,9-10,12H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine?
N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine is sourced from PubChem (CID 62283095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).