N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine

C16H28N2S — CID 107557690

IUPACN-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(CC)CC2CCC2)s1
InChIInChI=1S/C16H28N2S/c1-3-10-17-11-15-8-9-16(19-15)13-18(4-2)12-14-6-5-7-14/h8-9,14,17H,3-7,10-13H2,1-2H3
InChIKeyNDQGNIZGZAPZSK-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.87
Rot. Bonds9

About N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107557690) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107557690
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(CC)CC2CCC2)s1
InChIInChI=1S/C16H28N2S/c1-3-10-17-11-15-8-9-16(19-15)13-18(4-2)12-14-6-5-7-14/h8-9,14,17H,3-7,10-13H2,1-2H3
InChIKeyNDQGNIZGZAPZSK-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
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-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555362
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 107402142
N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine
CID 107555603
5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 107401418
N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine
CID 107555698
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80719418
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine (CID 107557690) is N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN(CC)CC2CCC2)s1.
What is the InChIKey of N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is NDQGNIZGZAPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-10-17-11-15-8-9-16(19-15)13-18(4-2)12-14-6-5-7-14/h8-9,14,17H,3-7,10-13H2,1-2H3.
What are the key properties of N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107557690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).