2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol

C13H17N3O — CID 63883932

IUPAC2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1cc(CN)c2ccccc2n1
InChIInChI=1S/C13H17N3O/c1-9(8-17)15-13-6-10(7-14)11-4-2-3-5-12(11)16-13/h2-6,9,17H,7-8,14H2,1H3,(H,15,16)
InChIKeyUXXYLDBOOHWBDN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.49
Rot. Bonds4

About 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol

2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol (PubChem CID 63883932) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol
PubChem CID63883932
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1cc(CN)c2ccccc2n1
InChIInChI=1S/C13H17N3O/c1-9(8-17)15-13-6-10(7-14)11-4-2-3-5-12(11)16-13/h2-6,9,17H,7-8,14H2,1H3,(H,15,16)
InChIKeyUXXYLDBOOHWBDN-UHFFFAOYSA-N
XLogP1.49
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol (CID 63883932) is 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol is CC(CO)Nc1cc(CN)c2ccccc2n1.
What is the InChIKey of 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol?
The InChIKey is UXXYLDBOOHWBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(8-17)15-13-6-10(7-14)11-4-2-3-5-12(11)16-13/h2-6,9,17H,7-8,14H2,1H3,(H,15,16).
What are the key properties of 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol?
2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 63883932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).