N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine

C18H25N3 — CID 106774817

IUPACN-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
SMILESCCCCN(C)c1ncc(CNC2CC2)c2ccccc12
InChIInChI=1S/C18H25N3/c1-3-4-11-21(2)18-17-8-6-5-7-16(17)14(13-20-18)12-19-15-9-10-15/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeyGVCCEFFBPLARJN-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds7

About N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine

N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine (PubChem CID 106774817) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine.

Molecular Properties

Compound NameN-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
PubChem CID106774817
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
SMILESCCCCN(C)c1ncc(CNC2CC2)c2ccccc12
InChIInChI=1S/C18H25N3/c1-3-4-11-21(2)18-17-8-6-5-7-16(17)14(13-20-18)12-19-15-9-10-15/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeyGVCCEFFBPLARJN-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776535
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80630395
N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine
CID 106776790
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
CID 106768094
N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
CID 106777587
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
4-(chloromethyl)-N-(cyclobutylmethyl)-N-methylisoquinolin-1-amine
CID 106769158
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)isoquinolin-1-amine
CID 106775153
2-[butyl-[4-(hydroxymethyl)isoquinolin-1-yl]amino]ethanol
CID 106768099

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine?
The IUPAC name of N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine (CID 106774817) is N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine.
What is the SMILES notation for N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine?
The canonical SMILES for N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine is CCCCN(C)c1ncc(CNC2CC2)c2ccccc12.
What is the InChIKey of N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine?
The InChIKey is GVCCEFFBPLARJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-4-11-21(2)18-17-8-6-5-7-16(17)14(13-20-18)12-19-15-9-10-15/h5-8,13,15,19H,3-4,9-12H2,1-2H3.
What are the key properties of N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine?
N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine is sourced from PubChem (CID 106774817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).