N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide

C12H25N3 — CID 111211579

IUPACN-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NCC)N1CCC(C)CC1
InChIInChI=1S/C12H25N3/c1-4-8-14-12(13-5-2)15-9-6-11(3)7-10-15/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyCVOQYSWTILZXRY-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.09
Rot. Bonds3

About N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide

N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide (PubChem CID 111211579) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
PubChem CID111211579
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NCC)N1CCC(C)CC1
InChIInChI=1S/C12H25N3/c1-4-8-14-12(13-5-2)15-9-6-11(3)7-10-15/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyCVOQYSWTILZXRY-UHFFFAOYSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212030
N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111983930
N-ethyl-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212086
N-ethyl-4-methyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111211580
N-ethyl-4-methyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111212028
N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211328
N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111211047
methyl 5-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]pentanoate
CID 111209842
N-ethyl-4-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111211907
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 111210249
2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide
CID 111211589
N-ethyl-4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111210828

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide (CID 111211579) is N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide is CCC/N=C(\NCC)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide?
The InChIKey is CVOQYSWTILZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-8-14-12(13-5-2)15-9-6-11(3)7-10-15/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide has a molecular weight of 211.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 111211579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).