N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide

C14H22N2S — CID 55158236

IUPACN'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide
SMILESCCCC(/N=C(\N)C1CCCC1)c1cccs1
InChIInChI=1S/C14H22N2S/c1-2-6-12(13-9-5-10-17-13)16-14(15)11-7-3-4-8-11/h5,9-12H,2-4,6-8H2,1H3,(H2,15,16)
InChIKeyMVKLFTAMKQRKMH-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.14
Rot. Bonds5

About N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide

N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide (PubChem CID 55158236) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide
PubChem CID55158236
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide
SMILESCCCC(/N=C(\N)C1CCCC1)c1cccs1
InChIInChI=1S/C14H22N2S/c1-2-6-12(13-9-5-10-17-13)16-14(15)11-7-3-4-8-11/h5,9-12H,2-4,6-8H2,1H3,(H2,15,16)
InChIKeyMVKLFTAMKQRKMH-UHFFFAOYSA-N
XLogP4.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide
CID 63177157
N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide
CID 63175965
N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
CID 55158432
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116601534
2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
CID 62741344
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
CID 106023478
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676

Frequently Asked Questions

What is the IUPAC name of N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide (CID 55158236) is N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide is CCCC(/N=C(\N)C1CCCC1)c1cccs1.
What is the InChIKey of N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide?
The InChIKey is MVKLFTAMKQRKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-6-12(13-9-5-10-17-13)16-14(15)11-7-3-4-8-11/h5,9-12H,2-4,6-8H2,1H3,(H2,15,16).
What are the key properties of N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide?
N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide has a molecular weight of 250.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide is sourced from PubChem (CID 55158236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).