N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide

C12H23N3 — CID 111824620

IUPACN'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide
SMILESCCC1(C/N=C(\N)N2CCCCC2)CC1
InChIInChI=1S/C12H23N3/c1-2-12(6-7-12)10-14-11(13)15-8-4-3-5-9-15/h2-10H2,1H3,(H2,13,14)
InChIKeyKGOXDAYFKFMYHY-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.98
Rot. Bonds3

About N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide

N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide (PubChem CID 111824620) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide
PubChem CID111824620
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide
SMILESCCC1(C/N=C(\N)N2CCCCC2)CC1
InChIInChI=1S/C12H23N3/c1-2-12(6-7-12)10-14-11(13)15-8-4-3-5-9-15/h2-10H2,1H3,(H2,13,14)
InChIKeyKGOXDAYFKFMYHY-UHFFFAOYSA-N
XLogP1.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.98
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'-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 75512975
tert-butyl 4-[N'-[(1-ethylcyclopropyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111824567
N'-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]azetidine-1-carboximidamide
CID 122095314
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111809281
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
CID 120762517
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-methylazocane-1-carboximidamide
CID 62359325
tert-butyl 4-[[[amino(azepan-1-yl)methylidene]amino]methyl]-4-methylpiperidine-1-carboxylate;hydroiodide
CID 110032115
N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026588

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide (CID 111824620) is N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide is CCC1(C/N=C(\N)N2CCCCC2)CC1.
What is the InChIKey of N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide?
The InChIKey is KGOXDAYFKFMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-12(6-7-12)10-14-11(13)15-8-4-3-5-9-15/h2-10H2,1H3,(H2,13,14).
What are the key properties of N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide?
N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111824620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).