3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol

C14H19N3O — CID 114230085

IUPAC3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1c(CN)cnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-17(7-4-8-18)14-11(9-15)10-16-13-6-3-2-5-12(13)14/h2-3,5-6,10,18H,4,7-9,15H2,1H3
InChIKeyGBROUZALYAUIKP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.51
Rot. Bonds5

About 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol

3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol (PubChem CID 114230085) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
PubChem CID114230085
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)c1c(CN)cnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-17(7-4-8-18)14-11(9-15)10-16-13-6-3-2-5-12(13)14/h2-3,5-6,10,18H,4,7-9,15H2,1H3
InChIKeyGBROUZALYAUIKP-UHFFFAOYSA-N
XLogP1.51
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-methyl-N-pentylquinolin-4-amine
CID 43669373
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81052877
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
CID 43669369
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478493
3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
CID 43669395
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106914487
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol (CID 114230085) is 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol is CN(CCCO)c1c(CN)cnc2ccccc12.
What is the InChIKey of 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol?
The InChIKey is GBROUZALYAUIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(7-4-8-18)14-11(9-15)10-16-13-6-3-2-5-12(13)14/h2-3,5-6,10,18H,4,7-9,15H2,1H3.
What are the key properties of 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol?
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 114230085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).