2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol

C14H19N3O — CID 113425934

IUPAC2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc2ccccc2cc1CN
InChIInChI=1S/C14H19N3O/c1-10(9-18)17(2)14-12(8-15)7-11-5-3-4-6-13(11)16-14/h3-7,10,18H,8-9,15H2,1-2H3
InChIKeyHMMRIJXXCKDXCI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol

2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol (PubChem CID 113425934) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
PubChem CID113425934
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1nc2ccccc2cc1CN
InChIInChI=1S/C14H19N3O/c1-10(9-18)17(2)14-12(8-15)7-11-5-3-4-6-13(11)16-14/h3-7,10,18H,8-9,15H2,1-2H3
InChIKeyHMMRIJXXCKDXCI-UHFFFAOYSA-N
XLogP1.51
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
CID 43269833
3-(aminomethyl)-N,N-dibutylquinolin-2-amine
CID 28983445
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 61448987
2-[[3-(hydroxymethyl)isoquinolin-1-yl]-methylamino]propan-1-ol
CID 104553842
[2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol
CID 103189816
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791
[3-(aminomethyl)quinolin-2-yl]methanol
CID 25170623
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine
CID 63058913

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol (CID 113425934) is 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol is CC(CO)N(C)c1nc2ccccc2cc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol?
The InChIKey is HMMRIJXXCKDXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(9-18)17(2)14-12(8-15)7-11-5-3-4-6-13(11)16-14/h3-7,10,18H,8-9,15H2,1-2H3.
What are the key properties of 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol?
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 113425934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).