N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine

C13H21NS — CID 142603202

IUPACN-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine
SMILESC=CCCCc1sccc1C(C)CNC
InChIInChI=1S/C13H21NS/c1-4-5-6-7-13-12(8-9-15-13)11(2)10-14-3/h4,8-9,11,14H,1,5-7,10H2,2-3H3
InChIKeyHKCLBZMFGGWDTB-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.58
Rot. Bonds7

About N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine

N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine (PubChem CID 142603202) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine
PubChem CID142603202
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine
SMILESC=CCCCc1sccc1C(C)CNC
InChIInChI=1S/C13H21NS/c1-4-5-6-7-13-12(8-9-15-13)11(2)10-14-3/h4,8-9,11,14H,1,5-7,10H2,2-3H3
InChIKeyHKCLBZMFGGWDTB-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine (CID 142603202) is N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine is C=CCCCc1sccc1C(C)CNC.
What is the InChIKey of N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine?
The InChIKey is HKCLBZMFGGWDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-5-6-7-13-12(8-9-15-13)11(2)10-14-3/h4,8-9,11,14H,1,5-7,10H2,2-3H3.
What are the key properties of N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine?
N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-pent-4-enylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 142603202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).