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

C15H26N2S — CID 107555698

IUPACN-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CNCCC)s1
InChIInChI=1S/C15H26N2S/c1-5-9-16-10-14-7-8-15(18-14)12-17(6-2)11-13(3)4/h7-8,16H,3,5-6,9-12H2,1-2,4H3
InChIKeyNSSZXTZUUDNYEP-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.65
Rot. Bonds9

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

N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine (PubChem CID 107555698) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine
PubChem CID107555698
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CNCCC)s1
InChIInChI=1S/C15H26N2S/c1-5-9-16-10-14-7-8-15(18-14)12-17(6-2)11-13(3)4/h7-8,16H,3,5-6,9-12H2,1-2,4H3
InChIKeyNSSZXTZUUDNYEP-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine
CID 107555694
N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine
CID 107555603
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 107555693
N-ethyl-2-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62418025
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557690
N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62419772
N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556276
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
CID 105346685
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine (CID 107555698) is N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine is C=C(C)CN(CC)Cc1ccc(CNCCC)s1.
What is the InChIKey of N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is NSSZXTZUUDNYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-9-16-10-14-7-8-15(18-14)12-17(6-2)11-13(3)4/h7-8,16H,3,5-6,9-12H2,1-2,4H3.
What are the key properties of N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine?
N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.65, 9 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-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 107555698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).