N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine

C16H28N2S — CID 80728295

IUPACN-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine
SMILESCCCN(Cc1cc(CNCC)sc1C)CC1CC1
InChIInChI=1S/C16H28N2S/c1-4-8-18(11-14-6-7-14)12-15-9-16(10-17-5-2)19-13(15)3/h9,14,17H,4-8,10-12H2,1-3H3
InChIKeyMMWKGRNXZBATAE-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.79
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine (PubChem CID 80728295) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine
PubChem CID80728295
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine
SMILESCCCN(Cc1cc(CNCC)sc1C)CC1CC1
InChIInChI=1S/C16H28N2S/c1-4-8-18(11-14-6-7-14)12-15-9-16(10-17-5-2)19-13(15)3/h9,14,17H,4-8,10-12H2,1-3H3
InChIKeyMMWKGRNXZBATAE-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine (CID 80728295) is N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine is CCCN(Cc1cc(CNCC)sc1C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine?
The InChIKey is MMWKGRNXZBATAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-8-18(11-14-6-7-14)12-15-9-16(10-17-5-2)19-13(15)3/h9,14,17H,4-8,10-12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 80728295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).