N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide

C9H20N4 — CID 77054107

IUPACN'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide
SMILESCCC1(C)CCN(C(N)=NN)CC1
InChIInChI=1S/C9H20N4/c1-3-9(2)4-6-13(7-5-9)8(10)12-11/h3-7,11H2,1-2H3,(H2,10,12)
InChIKeyNLZVNVDXTSNATR-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.69
Rot. Bonds1

About N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide

N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide (PubChem CID 77054107) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide
PubChem CID77054107
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC NameN'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide
SMILESCCC1(C)CCN(C(N)=NN)CC1
InChIInChI=1S/C9H20N4/c1-3-9(2)4-6-13(7-5-9)8(10)12-11/h3-7,11H2,1-2H3,(H2,10,12)
InChIKeyNLZVNVDXTSNATR-UHFFFAOYSA-N
XLogP0.69
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide (CID 77054107) is N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide is CCC1(C)CCN(C(N)=NN)CC1.
What is the InChIKey of N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide?
The InChIKey is NLZVNVDXTSNATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-9(2)4-6-13(7-5-9)8(10)12-11/h3-7,11H2,1-2H3,(H2,10,12).
What are the key properties of N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide?
N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide has a molecular weight of 184.29 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-ethyl-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 77054107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).