N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine

C15H25NS — CID 62718626

IUPACN-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCc1ccc(CC(C)(CC)CNC2CC2)s1
InChIInChI=1S/C15H25NS/c1-4-13-8-9-14(17-13)10-15(3,5-2)11-16-12-6-7-12/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKeyQDUSCMYRCKCMTG-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.02
Rot. Bonds7

About N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine

N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine (PubChem CID 62718626) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
PubChem CID62718626
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCc1ccc(CC(C)(CC)CNC2CC2)s1
InChIInChI=1S/C15H25NS/c1-4-13-8-9-14(17-13)10-15(3,5-2)11-16-12-6-7-12/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKeyQDUSCMYRCKCMTG-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine (CID 62718626) is N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine is CCc1ccc(CC(C)(CC)CNC2CC2)s1.
What is the InChIKey of N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
The InChIKey is QDUSCMYRCKCMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-13-8-9-14(17-13)10-15(3,5-2)11-16-12-6-7-12/h8-9,12,16H,4-7,10-11H2,1-3H3.
What are the key properties of N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine?
N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine has a molecular weight of 251.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62718626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).