(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine

C16H19NS — CID 115629135

IUPAC(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C16H19NS/c1-2-3-7-10-17-12-16-11-15(13-18-16)14-8-5-4-6-9-14/h2-6,8-9,11,13,17H,7,10,12H2,1H3/b3-2+
InChIKeyBMLVRJPPDFSVSD-NSCUHMNNSA-N
MW257.40 g/mol
LogP4.47
Rot. Bonds6

About (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine

(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine (PubChem CID 115629135) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
PubChem CID115629135
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C16H19NS/c1-2-3-7-10-17-12-16-11-15(13-18-16)14-8-5-4-6-9-14/h2-6,8-9,11,13,17H,7,10,12H2,1H3/b3-2+
InChIKeyBMLVRJPPDFSVSD-NSCUHMNNSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 115632380
N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62844842
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 103081163
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 61036692
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61282967
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
CID 54903997
N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide
CID 54903925

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine (CID 115629135) is (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine?
The InChIKey is BMLVRJPPDFSVSD-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-3-7-10-17-12-16-11-15(13-18-16)14-8-5-4-6-9-14/h2-6,8-9,11,13,17H,7,10,12H2,1H3/b3-2+.
What are the key properties of (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine?
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115629135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).