3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine

C16H19N — CID 114472242

IUPAC3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
SMILESC=C(C)CCNCc1cccc2ccccc12
InChIInChI=1S/C16H19N/c1-13(2)10-11-17-12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,17H,1,10-12H2,2H3
InChIKeyRNJTUHUCAFYQCP-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.90
Rot. Bonds5

About 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine

3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine (PubChem CID 114472242) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
PubChem CID114472242
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
SMILESC=C(C)CCNCc1cccc2ccccc12
InChIInChI=1S/C16H19N/c1-13(2)10-11-17-12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,17H,1,10-12H2,2H3
InChIKeyRNJTUHUCAFYQCP-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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-[(2-fluorophenyl)methyl]-3-methylbut-3-en-1-amine
CID 114471961
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide
CID 77028895
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 114472266
1-(4-methylpent-4-enyl)naphthalene
CID 146002701
2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
CID 66045234
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
methyl 4-(naphthalen-1-ylmethylamino)butanoate
CID 60676758
N-(1,3-benzodioxol-4-ylmethyl)-3-methylbut-3-en-1-amine
CID 114472123

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine?
The IUPAC name of 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine (CID 114472242) is 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine is C=C(C)CCNCc1cccc2ccccc12.
What is the InChIKey of 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine?
The InChIKey is RNJTUHUCAFYQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13(2)10-11-17-12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,17H,1,10-12H2,2H3.
What are the key properties of 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine?
3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 114472242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).