N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine

C16H28N2S — CID 80727214

IUPACN-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
SMILESCCN(Cc1cc(CNCC(C)C)sc1C)C1CC1
InChIInChI=1S/C16H28N2S/c1-5-18(15-6-7-15)11-14-8-16(19-13(14)4)10-17-9-12(2)3/h8,12,15,17H,5-7,9-11H2,1-4H3
InChIKeyPHXRLPQEXNRBGI-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.79
Rot. Bonds8

About N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine

N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine (PubChem CID 80727214) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
PubChem CID80727214
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
SMILESCCN(Cc1cc(CNCC(C)C)sc1C)C1CC1
InChIInChI=1S/C16H28N2S/c1-5-18(15-6-7-15)11-14-8-16(19-13(14)4)10-17-9-12(2)3/h8,12,15,17H,5-7,9-11H2,1-4H3
InChIKeyPHXRLPQEXNRBGI-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine (CID 80727214) is N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine is CCN(Cc1cc(CNCC(C)C)sc1C)C1CC1.
What is the InChIKey of N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine?
The InChIKey is PHXRLPQEXNRBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-18(15-6-7-15)11-14-8-16(19-13(14)4)10-17-9-12(2)3/h8,12,15,17H,5-7,9-11H2,1-4H3.
What are the key properties of N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine?
N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine has a molecular weight of 280.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80727214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).