N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine

C12H19NS — CID 81015095

IUPACN-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1ccsc1
InChIInChI=1S/C12H19NS/c1-9(7-13-12-3-4-12)10(2)11-5-6-14-8-11/h5-6,8-10,12-13H,3-4,7H2,1-2H3
InChIKeyZAQCAWKQWMIKFM-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.24
Rot. Bonds5

About N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine

N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine (PubChem CID 81015095) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine
PubChem CID81015095
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1ccsc1
InChIInChI=1S/C12H19NS/c1-9(7-13-12-3-4-12)10(2)11-5-6-14-8-11/h5-6,8-10,12-13H,3-4,7H2,1-2H3
InChIKeyZAQCAWKQWMIKFM-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-thiophen-3-ylbutyl)cyclopropanamine
CID 81020128
N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 81015305
N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
CID 107361238
(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
CID 69494477
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570532
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
N-propyl-1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 55126416
N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
CID 83138742
4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine
CID 115897266
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine?
The IUPAC name of N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine (CID 81015095) is N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine?
The canonical SMILES for N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine is CC(CNC1CC1)C(C)c1ccsc1.
What is the InChIKey of N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine?
The InChIKey is ZAQCAWKQWMIKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9(7-13-12-3-4-12)10(2)11-5-6-14-8-11/h5-6,8-10,12-13H,3-4,7H2,1-2H3.
What are the key properties of N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine?
N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine has a molecular weight of 209.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine is sourced from PubChem (CID 81015095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).