6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine

C15H16N2 — CID 170465057

IUPAC6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine
SMILESCNCCC#Cc1ccc2cc(N)ccc2c1
InChIInChI=1S/C15H16N2/c1-17-9-3-2-4-12-5-6-14-11-15(16)8-7-13(14)10-12/h5-8,10-11,17H,3,9,16H2,1H3
InChIKeyXPQBMABXFVRXGU-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.38
Rot. Bonds2

About 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine

6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine (PubChem CID 170465057) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine
PubChem CID170465057
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine
SMILESCNCCC#Cc1ccc2cc(N)ccc2c1
InChIInChI=1S/C15H16N2/c1-17-9-3-2-4-12-5-6-14-11-15(16)8-7-13(14)10-12/h5-8,10-11,17H,3,9,16H2,1H3
InChIKeyXPQBMABXFVRXGU-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-benzofuran-5-yl)-N-methylbut-3-yn-1-amine
CID 170464433
4-(3,4-dichlorophenyl)-N-methylbut-3-yn-1-amine
CID 170463870
4-amino-2-[4-(methylamino)but-1-ynyl]phenol
CID 170464058
4-[4-(methylamino)but-1-ynyl]phenol
CID 170463741
methyl 2-amino-5-[4-(methylamino)but-1-ynyl]benzoate
CID 170464952
N-methyl-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-yn-1-amine
CID 170464790
N-methyl-3-[4-(methylamino)but-1-ynyl]aniline
CID 170464030
3-[4-(methylamino)but-1-ynyl]-4-nitroaniline
CID 170464665
[4-[4-(methylamino)but-1-ynyl]phenyl]methanol
CID 170463909
4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine
CID 170465388
3-[4-(methylamino)but-1-ynyl]benzenesulfonamide
CID 170464710
N-methyl-4-[4-(2,2,2-trifluoroethoxy)phenyl]but-3-yn-1-amine
CID 170465158

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine?
The IUPAC name of 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine (CID 170465057) is 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine.
What is the SMILES notation for 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine?
The canonical SMILES for 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine is CNCCC#Cc1ccc2cc(N)ccc2c1.
What is the InChIKey of 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine?
The InChIKey is XPQBMABXFVRXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-17-9-3-2-4-12-5-6-14-11-15(16)8-7-13(14)10-12/h5-8,10-11,17H,3,9,16H2,1H3.
What are the key properties of 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine?
6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine has a molecular weight of 224.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine is sourced from PubChem (CID 170465057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).