N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine

C14H23N3 — CID 80649186

IUPACN'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
SMILESNCCCCNCc1cccc2c1NCCC2
InChIInChI=1S/C14H23N3/c15-8-1-2-9-16-11-13-6-3-5-12-7-4-10-17-14(12)13/h3,5-6,16-17H,1-2,4,7-11,15H2
InChIKeyLGQANGJQNDXZBE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.87
Rot. Bonds6

About N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine

N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine (PubChem CID 80649186) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
PubChem CID80649186
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
SMILESNCCCCNCc1cccc2c1NCCC2
InChIInChI=1S/C14H23N3/c15-8-1-2-9-16-11-13-6-3-5-12-7-4-10-17-14(12)13/h3,5-6,16-17H,1-2,4,7-11,15H2
InChIKeyLGQANGJQNDXZBE-UHFFFAOYSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80650089
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648893
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80649190

Frequently Asked Questions

What is the IUPAC name of N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine?
The IUPAC name of N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine (CID 80649186) is N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine is NCCCCNCc1cccc2c1NCCC2.
What is the InChIKey of N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine?
The InChIKey is LGQANGJQNDXZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c15-8-1-2-9-16-11-13-6-3-5-12-7-4-10-17-14(12)13/h3,5-6,16-17H,1-2,4,7-11,15H2.
What are the key properties of N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine?
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 80649186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).