(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine

C12H19NS — CID 115890210

IUPAC(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1sccc1C
InChIInChI=1S/C12H19NS/c1-4-5-6-8-13-11(3)12-10(2)7-9-14-12/h4-5,7,9,11,13H,6,8H2,1-3H3/b5-4+
InChIKeyUHWGYGXKVMBHQM-SNAWJCMRSA-N
MW209.36 g/mol
LogP3.67
Rot. Bonds5

About (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine

(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine (PubChem CID 115890210) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
PubChem CID115890210
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1sccc1C
InChIInChI=1S/C12H19NS/c1-4-5-6-8-13-11(3)12-10(2)7-9-14-12/h4-5,7,9,11,13H,6,8H2,1-3H3/b5-4+
InChIKeyUHWGYGXKVMBHQM-SNAWJCMRSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.67
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

(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 115729271
3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide
CID 63993085
(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine
CID 115890252

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine (CID 115890210) is (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine is C/C=C/CCNC(C)c1sccc1C.
What is the InChIKey of (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine?
The InChIKey is UHWGYGXKVMBHQM-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-5-6-8-13-11(3)12-10(2)7-9-14-12/h4-5,7,9,11,13H,6,8H2,1-3H3/b5-4+.
What are the key properties of (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine?
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine is sourced from PubChem (CID 115890210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).