N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine

C16H25N5 — CID 90798639

IUPACN'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESNCCN(CCN)CCNCc1ccnc2ccccc12
InChIInChI=1S/C16H25N5/c17-6-10-21(11-7-18)12-9-19-13-14-5-8-20-16-4-2-1-3-15(14)16/h1-5,8,19H,6-7,9-13,17-18H2
InChIKeyXCDJAVHBTZSSTM-UHFFFAOYSA-N
MW287.41 g/mol
LogP0.54
Rot. Bonds9

About N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine (PubChem CID 90798639) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
PubChem CID90798639
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
SMILESNCCN(CCN)CCNCc1ccnc2ccccc12
InChIInChI=1S/C16H25N5/c17-6-10-21(11-7-18)12-9-19-13-14-5-8-20-16-4-2-1-3-15(14)16/h1-5,8,19H,6-7,9-13,17-18H2
InChIKeyXCDJAVHBTZSSTM-UHFFFAOYSA-N
XLogP0.54
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
CID 63867946
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
N-(quinolin-4-ylmethyl)hex-5-yn-1-amine
CID 113256049
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
N-(quinolin-4-ylmethyl)ethenamine
CID 166934821
N,N-dimethyl-2-(quinolin-4-ylmethylamino)acetamide
CID 63850713
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
CID 114171251
1-[4-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 107232919
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine (CID 90798639) is N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine is NCCN(CCN)CCNCc1ccnc2ccccc12.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is XCDJAVHBTZSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c17-6-10-21(11-7-18)12-9-19-13-14-5-8-20-16-4-2-1-3-15(14)16/h1-5,8,19H,6-7,9-13,17-18H2.
What are the key properties of N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 287.41 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 90798639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).