4-ethenyl-2,3,5-trimethylnaphthalen-1-amine

C15H17N — CID 54134922

IUPAC4-ethenyl-2,3,5-trimethylnaphthalen-1-amine
SMILESC=Cc1c(C)c(C)c(N)c2cccc(C)c12
InChIInChI=1S/C15H17N/c1-5-12-10(3)11(4)15(16)13-8-6-7-9(2)14(12)13/h5-8H,1,16H2,2-4H3
InChIKeyNWZRTCNAVXJMCV-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.99
Rot. Bonds1

About 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine

4-ethenyl-2,3,5-trimethylnaphthalen-1-amine (PubChem CID 54134922) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-ethenyl-2,3,5-trimethylnaphthalen-1-amine
PubChem CID54134922
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-ethenyl-2,3,5-trimethylnaphthalen-1-amine
SMILESC=Cc1c(C)c(C)c(N)c2cccc(C)c12
InChIInChI=1S/C15H17N/c1-5-12-10(3)11(4)15(16)13-8-6-7-9(2)14(12)13/h5-8H,1,16H2,2-4H3
InChIKeyNWZRTCNAVXJMCV-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene
CID 143715386
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
9-ethenyl-10-methylphenanthrene
CID 123648763
1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene
CID 143743667
3-ethenyl-2,4-dimethyl-1-benzothiophene
CID 145447214
1,5,12-trimethyltriphenylene
CID 102264978
4-amino-3,5-dimethyl-2H-isoquinolin-1-one
CID 84661457
1-cyclopropyl-2-ethenyl-3-methylbenzene
CID 145207304
1,3,4-trimethylnaphthalen-2-amine
CID 68501802
1,5-dimethylnaphthalene
CID 162159355
4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine
CID 172847856

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine?
The IUPAC name of 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine (CID 54134922) is 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine.
What is the SMILES notation for 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine?
The canonical SMILES for 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine is C=Cc1c(C)c(C)c(N)c2cccc(C)c12.
What is the InChIKey of 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine?
The InChIKey is NWZRTCNAVXJMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-5-12-10(3)11(4)15(16)13-8-6-7-9(2)14(12)13/h5-8H,1,16H2,2-4H3.
What are the key properties of 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine?
4-ethenyl-2,3,5-trimethylnaphthalen-1-amine has a molecular weight of 211.31 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3,5-trimethylnaphthalen-1-amine is sourced from PubChem (CID 54134922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).