N-(2-thiophen-3-ylethyl)hept-6-en-1-amine

C13H21NS — CID 107006689

IUPACN-(2-thiophen-3-ylethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCCc1ccsc1
InChIInChI=1S/C13H21NS/c1-2-3-4-5-6-9-14-10-7-13-8-11-15-12-13/h2,8,11-12,14H,1,3-7,9-10H2
InChIKeyPEIWHEYBRRBHJN-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.63
Rot. Bonds9

About N-(2-thiophen-3-ylethyl)hept-6-en-1-amine

N-(2-thiophen-3-ylethyl)hept-6-en-1-amine (PubChem CID 107006689) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)hept-6-en-1-amine
PubChem CID107006689
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-(2-thiophen-3-ylethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCCc1ccsc1
InChIInChI=1S/C13H21NS/c1-2-3-4-5-6-9-14-10-7-13-8-11-15-12-13/h2,8,11-12,14H,1,3-7,9-10H2
InChIKeyPEIWHEYBRRBHJN-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.63
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-hexadec-15-enylthiophene
CID 139794200
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
N'-hept-6-enylethane-1,2-diamine
CID 107006766
5-thiophen-3-ylpentanal
CID 15807672
N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 79278997
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
ethyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 64579329

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-3-ylethyl)hept-6-en-1-amine?
The IUPAC name of N-(2-thiophen-3-ylethyl)hept-6-en-1-amine (CID 107006689) is N-(2-thiophen-3-ylethyl)hept-6-en-1-amine.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)hept-6-en-1-amine?
The canonical SMILES for N-(2-thiophen-3-ylethyl)hept-6-en-1-amine is C=CCCCCCNCCc1ccsc1.
What is the InChIKey of N-(2-thiophen-3-ylethyl)hept-6-en-1-amine?
The InChIKey is PEIWHEYBRRBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-3-4-5-6-9-14-10-7-13-8-11-15-12-13/h2,8,11-12,14H,1,3-7,9-10H2.
What are the key properties of N-(2-thiophen-3-ylethyl)hept-6-en-1-amine?
N-(2-thiophen-3-ylethyl)hept-6-en-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)hept-6-en-1-amine is sourced from PubChem (CID 107006689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).