2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol

C17H25N3O — CID 62285005

IUPAC2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-3-14(4-2)20(9-10-21)17-11-13(12-18)15-7-5-6-8-16(15)19-17/h5-8,11,14,21H,3-4,9-10,12,18H2,1-2H3
InChIKeyBXTYSAHCMPOFOX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.68
Rot. Bonds7

About 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol

2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol (PubChem CID 62285005) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol
PubChem CID62285005
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-3-14(4-2)20(9-10-21)17-11-13(12-18)15-7-5-6-8-16(15)19-17/h5-8,11,14,21H,3-4,9-10,12,18H2,1-2H3
InChIKeyBXTYSAHCMPOFOX-UHFFFAOYSA-N
XLogP2.68
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol (CID 62285005) is 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1cc(CN)c2ccccc2n1.
What is the InChIKey of 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol?
The InChIKey is BXTYSAHCMPOFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-14(4-2)20(9-10-21)17-11-13(12-18)15-7-5-6-8-16(15)19-17/h5-8,11,14,21H,3-4,9-10,12,18H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol?
2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol has a molecular weight of 287.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)quinolin-2-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62285005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).