N-(1-naphthalen-1-ylethyl)but-3-en-1-amine

C16H19N — CID 115899601

IUPACN-(1-naphthalen-1-ylethyl)but-3-en-1-amine
SMILESC=CCCNC(C)c1cccc2ccccc12
InChIInChI=1S/C16H19N/c1-3-4-12-17-13(2)15-11-7-9-14-8-5-6-10-16(14)15/h3,5-11,13,17H,1,4,12H2,2H3
InChIKeyBYUKMBJSBOEEDW-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.07
Rot. Bonds5

About N-(1-naphthalen-1-ylethyl)but-3-en-1-amine

N-(1-naphthalen-1-ylethyl)but-3-en-1-amine (PubChem CID 115899601) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)but-3-en-1-amine
PubChem CID115899601
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC NameN-(1-naphthalen-1-ylethyl)but-3-en-1-amine
SMILESC=CCCNC(C)c1cccc2ccccc12
InChIInChI=1S/C16H19N/c1-3-4-12-17-13(2)15-11-7-9-14-8-5-6-10-16(14)15/h3,5-11,13,17H,1,4,12H2,2H3
InChIKeyBYUKMBJSBOEEDW-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]but-3-en-1-amine
CID 81374868
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
2-(1-naphthalen-1-ylethylamino)-N,N-bis(prop-2-enyl)acetamide
CID 112800942
2-[1-(but-3-enylamino)ethyl]benzene-1,3-diol
CID 107711262
1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427136
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)but-3-en-1-amine?
The IUPAC name of N-(1-naphthalen-1-ylethyl)but-3-en-1-amine (CID 115899601) is N-(1-naphthalen-1-ylethyl)but-3-en-1-amine.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)but-3-en-1-amine?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)but-3-en-1-amine is C=CCCNC(C)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)but-3-en-1-amine?
The InChIKey is BYUKMBJSBOEEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-4-12-17-13(2)15-11-7-9-14-8-5-6-10-16(14)15/h3,5-11,13,17H,1,4,12H2,2H3.
What are the key properties of N-(1-naphthalen-1-ylethyl)but-3-en-1-amine?
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine has a molecular weight of 225.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)but-3-en-1-amine is sourced from PubChem (CID 115899601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).