N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine

C14H21NS — CID 83159341

IUPACN-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
SMILESCC(CNC1CC1)(Cc1cccs1)C1CC1
InChIInChI=1S/C14H21NS/c1-14(11-4-5-11,10-15-12-6-7-12)9-13-3-2-8-16-13/h2-3,8,11-12,15H,4-7,9-10H2,1H3
InChIKeyFLLBUEXOSLCDEU-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.46
Rot. Bonds6

About N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine

N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine (PubChem CID 83159341) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
PubChem CID83159341
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
SMILESCC(CNC1CC1)(Cc1cccs1)C1CC1
InChIInChI=1S/C14H21NS/c1-14(11-4-5-11,10-15-12-6-7-12)9-13-3-2-8-16-13/h2-3,8,11-12,15H,4-7,9-10H2,1H3
InChIKeyFLLBUEXOSLCDEU-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
CID 62724017
N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83160159
N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 83160248
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
2-cyclopropyl-2-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 83160239
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233
N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine
CID 83160155
N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 83160154
N-(2-cyclopropyl-2-methyl-3-trimethylsilylpropyl)cyclopropanamine
CID 106323909
N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine?
The IUPAC name of N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine (CID 83159341) is N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine.
What is the SMILES notation for N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine?
The canonical SMILES for N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine is CC(CNC1CC1)(Cc1cccs1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine?
The InChIKey is FLLBUEXOSLCDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-14(11-4-5-11,10-15-12-6-7-12)9-13-3-2-8-16-13/h2-3,8,11-12,15H,4-7,9-10H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine?
N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine has a molecular weight of 235.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine is sourced from PubChem (CID 83159341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).