N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine

C13H19NS — CID 81017241

IUPACN-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine
SMILESc1csc(CC2CCC2CNC2CC2)c1
InChIInChI=1S/C13H19NS/c1-2-13(15-7-1)8-10-3-4-11(10)9-14-12-5-6-12/h1-2,7,10-12,14H,3-6,8-9H2
InChIKeyCQTCBPAJHQZOES-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 81017241) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine
PubChem CID81017241
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine
SMILESc1csc(CC2CCC2CNC2CC2)c1
InChIInChI=1S/C13H19NS/c1-2-13(15-7-1)8-10-3-4-11(10)9-14-12-5-6-12/h1-2,7,10-12,14H,3-6,8-9H2
InChIKeyCQTCBPAJHQZOES-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 112645575
N-methyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64505657
N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025222
N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 55207614
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
N-[2-(thiophen-2-ylmethoxy)ethyl]cyclopropanamine
CID 62485246

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine (CID 81017241) is N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine is c1csc(CC2CCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is CQTCBPAJHQZOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-13(15-7-1)8-10-3-4-11(10)9-14-12-5-6-12/h1-2,7,10-12,14H,3-6,8-9H2.
What are the key properties of N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 221.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81017241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).