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

C15H28N2S — CID 107555603

IUPACN-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine
SMILESCCCCN(CC)Cc1ccc(CNCCC)s1
InChIInChI=1S/C15H28N2S/c1-4-7-11-17(6-3)13-15-9-8-14(18-15)12-16-10-5-2/h8-9,16H,4-7,10-13H2,1-3H3
InChIKeyUVUOAJDAWUSEDB-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.87
Rot. Bonds10

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

N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine (PubChem CID 107555603) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine
PubChem CID107555603
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine
SMILESCCCCN(CC)Cc1ccc(CNCCC)s1
InChIInChI=1S/C15H28N2S/c1-4-7-11-17(6-3)13-15-9-8-14(18-15)12-16-10-5-2/h8-9,16H,4-7,10-13H2,1-3H3
InChIKeyUVUOAJDAWUSEDB-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557690
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N',N'-diethyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 4720465
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555362
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine (CID 107555603) is N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine is CCCCN(CC)Cc1ccc(CNCCC)s1.
What is the InChIKey of N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine?
The InChIKey is UVUOAJDAWUSEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-7-11-17(6-3)13-15-9-8-14(18-15)12-16-10-5-2/h8-9,16H,4-7,10-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine?
N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 107555603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).