N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine

C19H23NO — CID 155594446

IUPACN,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine
SMILESC#CC(C)(C)N(C)CCOCc1ccc2ccccc2c1
InChIInChI=1S/C19H23NO/c1-5-19(2,3)20(4)12-13-21-15-16-10-11-17-8-6-7-9-18(17)14-16/h1,6-11,14H,12-13,15H2,2-4H3
InChIKeyCJSQHGZDQAYWMB-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.70
Rot. Bonds6

About N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine

N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine (PubChem CID 155594446) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine
PubChem CID155594446
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine
SMILESC#CC(C)(C)N(C)CCOCc1ccc2ccccc2c1
InChIInChI=1S/C19H23NO/c1-5-19(2,3)20(4)12-13-21-15-16-10-11-17-8-6-7-9-18(17)14-16/h1,6-11,14H,12-13,15H2,2-4H3
InChIKeyCJSQHGZDQAYWMB-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
CID 115129759
2-(ethoxymethyl)naphthalene
CID 11063138
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
2-(octoxymethyl)naphthalene
CID 101192870
N-methyl-2-(naphthalen-2-ylmethoxy)acetohydrazide
CID 116845423
6-(naphthalen-2-ylmethoxy)hexan-1-amine
CID 86078826
1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115200753
1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
CID 91406926
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene
CID 155935168
2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094
(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
CID 53305482
2-(naphthalen-2-ylmethoxy)ethyl carbamimidate
CID 163811315

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine?
The IUPAC name of N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine (CID 155594446) is N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine?
The canonical SMILES for N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine is C#CC(C)(C)N(C)CCOCc1ccc2ccccc2c1.
What is the InChIKey of N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine?
The InChIKey is CJSQHGZDQAYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-5-19(2,3)20(4)12-13-21-15-16-10-11-17-8-6-7-9-18(17)14-16/h1,6-11,14H,12-13,15H2,2-4H3.
What are the key properties of N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine?
N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(naphthalen-2-ylmethoxy)ethyl]but-3-yn-2-amine is sourced from PubChem (CID 155594446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).