N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine

C16H23N3 — CID 106775114

IUPACN-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
SMILESCCCN(CC)c1ncc(CNC)c2ccccc12
InChIInChI=1S/C16H23N3/c1-4-10-19(5-2)16-15-9-7-6-8-14(15)13(11-17-3)12-18-16/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyNBBVBSGJZVPZKJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.19
Rot. Bonds6

About N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine

N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine (PubChem CID 106775114) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
PubChem CID106775114
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
SMILESCCCN(CC)c1ncc(CNC)c2ccccc12
InChIInChI=1S/C16H23N3/c1-4-10-19(5-2)16-15-9-7-6-8-14(15)13(11-17-3)12-18-16/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyNBBVBSGJZVPZKJ-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846
4-(ethylaminomethyl)-N-propyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776565
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
4-(aminomethyl)-N-(cyclopropylmethyl)-N-propylisoquinolin-1-amine
CID 106775573
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995
2-[butyl-[4-(hydroxymethyl)isoquinolin-1-yl]amino]ethanol
CID 106768099
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine?
The IUPAC name of N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine (CID 106775114) is N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine.
What is the SMILES notation for N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine?
The canonical SMILES for N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine is CCCN(CC)c1ncc(CNC)c2ccccc12.
What is the InChIKey of N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine?
The InChIKey is NBBVBSGJZVPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-10-19(5-2)16-15-9-7-6-8-14(15)13(11-17-3)12-18-16/h6-9,12,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine?
N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine is sourced from PubChem (CID 106775114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).