N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine

C15H26N2S — CID 107555694

IUPACN-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CNC(C)C)s1
InChIInChI=1S/C15H26N2S/c1-6-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13(4)5/h7-8,13,16H,2,6,9-11H2,1,3-5H3
InChIKeyQKEONADXEKJELS-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.64
Rot. Bonds8

About N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine

N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine (PubChem CID 107555694) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine
PubChem CID107555694
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CNC(C)C)s1
InChIInChI=1S/C15H26N2S/c1-6-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13(4)5/h7-8,13,16H,2,6,9-11H2,1,3-5H3
InChIKeyQKEONADXEKJELS-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine
CID 107555698
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 107555693
N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555623
1-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556231
N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556484
N-[[5-[[(4-bromophenyl)methyl-methylamino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555405
N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556276
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80727269
2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 107556095
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417078
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557690
N-ethyl-2-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62418025

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine (CID 107555694) is N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine is C=C(C)CN(CC)Cc1ccc(CNC(C)C)s1.
What is the InChIKey of N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is QKEONADXEKJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-6-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13(4)5/h7-8,13,16H,2,6,9-11H2,1,3-5H3.
What are the key properties of N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine?
N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 107555694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).