N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine

C18H27N3 — CID 106774846

IUPACN-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
SMILESCCCCN(CC)c1ncc(CNCC)c2ccccc12
InChIInChI=1S/C18H27N3/c1-4-7-12-21(6-3)18-17-11-9-8-10-16(17)15(14-20-18)13-19-5-2/h8-11,14,19H,4-7,12-13H2,1-3H3
InChIKeyUTQAHKDSGJHOFK-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.97
Rot. Bonds8

About N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine

N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine (PubChem CID 106774846) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
PubChem CID106774846
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
SMILESCCCCN(CC)c1ncc(CNCC)c2ccccc12
InChIInChI=1S/C18H27N3/c1-4-7-12-21(6-3)18-17-11-9-8-10-16(17)15(14-20-18)13-19-5-2/h8-11,14,19H,4-7,12-13H2,1-3H3
InChIKeyUTQAHKDSGJHOFK-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
4-(ethylaminomethyl)-N-propyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776565
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
2-[butyl-[4-(hydroxymethyl)isoquinolin-1-yl]amino]ethanol
CID 106768099
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
CID 106774817
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
CID 106775153
4-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775170
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
CID 106768094

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine (CID 106774846) is N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine is CCCCN(CC)c1ncc(CNCC)c2ccccc12.
What is the InChIKey of N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine?
The InChIKey is UTQAHKDSGJHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-7-12-21(6-3)18-17-11-9-8-10-16(17)15(14-20-18)13-19-5-2/h8-11,14,19H,4-7,12-13H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine?
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 106774846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).