N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide

C13H21N3S — CID 61363103

IUPACN-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide
SMILESNN/C(CCCc1cccs1)=N/C1CCCC1
InChIInChI=1S/C13H21N3S/c14-16-13(15-11-5-1-2-6-11)9-3-7-12-8-4-10-17-12/h4,8,10-11H,1-3,5-7,9,14H2,(H,15,16)
InChIKeyXLXRFKLKTSTCRU-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.88
Rot. Bonds5

About N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide

N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide (PubChem CID 61363103) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide
PubChem CID61363103
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide
SMILESNN/C(CCCc1cccs1)=N/C1CCCC1
InChIInChI=1S/C13H21N3S/c14-16-13(15-11-5-1-2-6-11)9-3-7-12-8-4-10-17-12/h4,8,10-11H,1-3,5-7,9,14H2,(H,15,16)
InChIKeyXLXRFKLKTSTCRU-UHFFFAOYSA-N
XLogP2.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-phenyl-4-thiophen-2-ylbutanimidamide
CID 61362762
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
5-thiophen-2-ylpentanehydrazide
CID 70194284
oxan-2-ylmethyl 4-thiophen-2-ylbutanoate
CID 78790137
3-amino-2-cyclopropyl-1-ethyl-1-(thiophen-2-ylmethyl)guanidine
CID 116514468
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
2-(4-cyclohexylbutyl)thiophene
CID 142713613
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide
CID 47189286
1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513137
N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide
CID 79206755
N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
CID 80659406

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide?
The IUPAC name of N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide (CID 61363103) is N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide is NN/C(CCCc1cccs1)=N/C1CCCC1.
What is the InChIKey of N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide?
The InChIKey is XLXRFKLKTSTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c14-16-13(15-11-5-1-2-6-11)9-3-7-12-8-4-10-17-12/h4,8,10-11H,1-3,5-7,9,14H2,(H,15,16).
What are the key properties of N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide?
N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide has a molecular weight of 251.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide is sourced from PubChem (CID 61363103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).