N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine

C12H18ClNS — CID 107361238

IUPACN-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1sccc1Cl
InChIInChI=1S/C12H18ClNS/c1-8(7-14-10-3-4-10)9(2)12-11(13)5-6-15-12/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyGGCPEPMCDWYEBC-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.89
Rot. Bonds5

About N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine

N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine (PubChem CID 107361238) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
PubChem CID107361238
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC NameN-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1sccc1Cl
InChIInChI=1S/C12H18ClNS/c1-8(7-14-10-3-4-10)9(2)12-11(13)5-6-15-12/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyGGCPEPMCDWYEBC-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine (CID 107361238) is N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)c1sccc1Cl.
What is the InChIKey of N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine?
The InChIKey is GGCPEPMCDWYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-8(7-14-10-3-4-10)9(2)12-11(13)5-6-15-12/h5-6,8-10,14H,3-4,7H2,1-2H3.
What are the key properties of N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine?
N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine has a molecular weight of 243.80 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 107361238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).