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

C11H17NS — CID 81020128

IUPACN-(3-thiophen-3-ylbutyl)cyclopropanamine
SMILESCC(CCNC1CC1)c1ccsc1
InChIInChI=1S/C11H17NS/c1-9(10-5-7-13-8-10)4-6-12-11-2-3-11/h5,7-9,11-12H,2-4,6H2,1H3
InChIKeyCFYUOKMEYYRWBA-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.99
Rot. Bonds5

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

N-(3-thiophen-3-ylbutyl)cyclopropanamine (PubChem CID 81020128) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-(3-thiophen-3-ylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-thiophen-3-ylbutyl)cyclopropanamine
PubChem CID81020128
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-(3-thiophen-3-ylbutyl)cyclopropanamine
SMILESCC(CCNC1CC1)c1ccsc1
InChIInChI=1S/C11H17NS/c1-9(10-5-7-13-8-10)4-6-12-11-2-3-11/h5,7-9,11-12H,2-4,6H2,1H3
InChIKeyCFYUOKMEYYRWBA-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine
CID 81015095
N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
CID 102838929
N-propyl-1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 55126416
N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019318
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
3-hexan-2-ylthiophene
CID 18454785
4-[4-(cyclobutylamino)butan-2-yl]aniline
CID 104501639
4-thiophen-3-ylpentan-1-amine
CID 83927705
N-[3-(3-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019891
N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
CID 115907862
2,2-dimethyl-N-(2-thiophen-3-ylpropyl)cyclopentan-1-amine
CID 115726200
4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289

Frequently Asked Questions

What is the IUPAC name of N-(3-thiophen-3-ylbutyl)cyclopropanamine?
The IUPAC name of N-(3-thiophen-3-ylbutyl)cyclopropanamine (CID 81020128) is N-(3-thiophen-3-ylbutyl)cyclopropanamine.
What is the SMILES notation for N-(3-thiophen-3-ylbutyl)cyclopropanamine?
The canonical SMILES for N-(3-thiophen-3-ylbutyl)cyclopropanamine is CC(CCNC1CC1)c1ccsc1.
What is the InChIKey of N-(3-thiophen-3-ylbutyl)cyclopropanamine?
The InChIKey is CFYUOKMEYYRWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9(10-5-7-13-8-10)4-6-12-11-2-3-11/h5,7-9,11-12H,2-4,6H2,1H3.
What are the key properties of N-(3-thiophen-3-ylbutyl)cyclopropanamine?
N-(3-thiophen-3-ylbutyl)cyclopropanamine has a molecular weight of 195.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-thiophen-3-ylbutyl)cyclopropanamine is sourced from PubChem (CID 81020128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).