N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine

C17H19N3 — CID 66397773

IUPACN-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
SMILESCCCn1ccc(CNc2cccc3cnccc23)c1
InChIInChI=1S/C17H19N3/c1-2-9-20-10-7-14(13-20)11-19-17-5-3-4-15-12-18-8-6-16(15)17/h3-8,10,12-13,19H,2,9,11H2,1H3
InChIKeyVCCVCBJQYFWRPE-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.06
Rot. Bonds5

About N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine

N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine (PubChem CID 66397773) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
PubChem CID66397773
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
SMILESCCCn1ccc(CNc2cccc3cnccc23)c1
InChIInChI=1S/C17H19N3/c1-2-9-20-10-7-14(13-20)11-19-17-5-3-4-15-12-18-8-6-16(15)17/h3-8,10,12-13,19H,2,9,11H2,1H3
InChIKeyVCCVCBJQYFWRPE-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66400502
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66414540
2-methoxy-N-[(1-propylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66416306
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine
CID 60683568
N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66414174
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
CID 81413794
5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol
CID 66416710
2-ethyl-2-[(isoquinolin-5-ylamino)methyl]butan-1-ol
CID 81412423

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine?
The IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine (CID 66397773) is N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine?
The canonical SMILES for N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine is CCCn1ccc(CNc2cccc3cnccc23)c1.
What is the InChIKey of N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine?
The InChIKey is VCCVCBJQYFWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-9-20-10-7-14(13-20)11-19-17-5-3-4-15-12-18-8-6-16(15)17/h3-8,10,12-13,19H,2,9,11H2,1H3.
What are the key properties of N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine?
N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine has a molecular weight of 265.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine is sourced from PubChem (CID 66397773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).