N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide

C13H28N4O — CID 104883965

IUPACN-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCCC(CC)C1
InChIInChI=1S/C13H28N4O/c1-3-12-7-5-9-17(11-12)13(16-14)15-8-6-10-18-4-2/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyBXJPTDBDKBTPSC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.35
Rot. Bonds6

About N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide

N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide (PubChem CID 104883965) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide
PubChem CID104883965
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCCC(CC)C1
InChIInChI=1S/C13H28N4O/c1-3-12-7-5-9-17(11-12)13(16-14)15-8-6-10-18-4-2/h12H,3-11,14H2,1-2H3,(H,15,16)
InChIKeyBXJPTDBDKBTPSC-UHFFFAOYSA-N
XLogP1.35
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-(3-methoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887098
(4aR,8aR)-N-amino-N'-(3-ethoxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 102729292
N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972031
N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504870
N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504876
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504877
N-amino-4-methoxy-N'-methylpiperidine-1-carboximidamide
CID 104881994
N-amino-3-ethyl-N'-methylpiperidine-1-carboximidamide
CID 104882012
N-amino-N'-methyl-4-propylpiperidine-1-carboximidamide
CID 104882039

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide (CID 104883965) is N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCCC(CC)C1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide?
The InChIKey is BXJPTDBDKBTPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-3-12-7-5-9-17(11-12)13(16-14)15-8-6-10-18-4-2/h12H,3-11,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide has a molecular weight of 256.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-3-ethylpiperidine-1-carboximidamide is sourced from PubChem (CID 104883965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).