(E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine

C19H19NS — CID 70544405

IUPAC(E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SMILESCc1ccc(/C=C/CNCc2cccc3ccccc23)s1
InChIInChI=1S/C19H19NS/c1-15-11-12-18(21-15)9-5-13-20-14-17-8-4-7-16-6-2-3-10-19(16)17/h2-12,20H,13-14H2,1H3/b9-5+
InChIKeyUDEYYDCFBBUKJM-WEVVVXLNSA-N
MW293.44 g/mol
LogP5.01
Rot. Bonds5

About (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine

(E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine (PubChem CID 70544405) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
PubChem CID70544405
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name(E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SMILESCc1ccc(/C=C/CNCc2cccc3ccccc23)s1
InChIInChI=1S/C19H19NS/c1-15-11-12-18(21-15)9-5-13-20-14-17-8-4-7-16-6-2-3-10-19(16)17/h2-12,20H,13-14H2,1H3/b9-5+
InChIKeyUDEYYDCFBBUKJM-WEVVVXLNSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methylthiophen-2-yl)-N-propylprop-2-en-1-amine
CID 79347136
(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine
CID 101129533
(5-methylthiophen-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
CID 19351853
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
methyl (Z)-4-(5-methylthiophen-2-yl)but-3-enoate
CID 117267850
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
1-(5-methylthiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 61079214
(E)-N-(1-benzothiophen-4-ylmethyl)-3-phenylprop-2-en-1-amine
CID 24971884
N-(naphthalen-1-ylmethyl)but-2-yn-1-amine
CID 62369584
1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 10782345

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine (CID 70544405) is (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine is Cc1ccc(/C=C/CNCc2cccc3ccccc23)s1.
What is the InChIKey of (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is UDEYYDCFBBUKJM-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H19NS/c1-15-11-12-18(21-15)9-5-13-20-14-17-8-4-7-16-6-2-3-10-19(16)17/h2-12,20H,13-14H2,1H3/b9-5+.
What are the key properties of (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
(E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 293.44 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 70544405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).