N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine

C16H23N — CID 65405177

IUPACN-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine
SMILESC=CCC(NCC)C1CCc2ccccc2C1
InChIInChI=1S/C16H23N/c1-3-7-16(17-4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3
InChIKeyNNYITBXQNCHNCP-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine

N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine (PubChem CID 65405177) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine
PubChem CID65405177
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine
SMILESC=CCC(NCC)C1CCc2ccccc2C1
InChIInChI=1S/C16H23N/c1-3-7-16(17-4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3
InChIKeyNNYITBXQNCHNCP-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65458172
N-ethyl-3-methylidene-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 66039249
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylpropan-1-amine
CID 65410925
N-[(5-bromofuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126566
N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126541
N,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 83161896
3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65405568
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
CID 65410934
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528
1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475034

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine (CID 65405177) is N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine is C=CCC(NCC)C1CCc2ccccc2C1.
What is the InChIKey of N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine?
The InChIKey is NNYITBXQNCHNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-7-16(17-4-2)15-11-10-13-8-5-6-9-14(13)12-15/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3.
What are the key properties of N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine?
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)but-3-en-1-amine is sourced from PubChem (CID 65405177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).