N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide

C15H31N5O — CID 104884316

IUPACN-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N5O/c1-2-21-13-5-8-17-15(18-16)20-11-9-19(10-12-20)14-6-3-4-7-14/h14H,2-13,16H2,1H3,(H,17,18)
InChIKeyILGVMCUMIUIGRA-UHFFFAOYSA-N
MW297.45 g/mol
LogP0.79
Rot. Bonds6

About N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide

N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide (PubChem CID 104884316) has the molecular formula C15H31N5O and a molecular weight of 297.45 g/mol. Its IUPAC name is N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
PubChem CID104884316
Molecular FormulaC15H31N5O
Molecular Weight297.45 g/mol
Exact Mass297.25
IUPAC NameN-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N5O/c1-2-21-13-5-8-17-15(18-16)20-11-9-19(10-12-20)14-6-3-4-7-14/h14H,2-13,16H2,1H3,(H,17,18)
InChIKeyILGVMCUMIUIGRA-UHFFFAOYSA-N
XLogP0.79
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(3-ethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887395
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-(3-ethoxypropyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104887886
N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887396
N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide
CID 104888829
N-amino-2-ethyl-N'-(3-methoxypropyl)azepane-1-carboximidamide
CID 104888677
N-amino-N'-cyclopentyl-4-cyclopropylpiperazine-1-carboximidamide
CID 104885662
3-amino-2-(3-ethoxypropyl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 104883188

Frequently Asked Questions

What is the IUPAC name of N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide (CID 104884316) is N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide?
The InChIKey is ILGVMCUMIUIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O/c1-2-21-13-5-8-17-15(18-16)20-11-9-19(10-12-20)14-6-3-4-7-14/h14H,2-13,16H2,1H3,(H,17,18).
What are the key properties of N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide?
N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide has a molecular weight of 297.45 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-cyclopentyl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104884316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).