N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide

C15H27N3 — CID 122125675

IUPACN'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/C[C@@H]2C[C@H]2C2CCC2)C1
InChIInChI=1S/C15H27N3/c1-11-4-3-7-18(10-11)15(16)17-9-13-8-14(13)12-5-2-6-12/h11-14H,2-10H2,1H3,(H2,16,17)/t11?,13-,14-/m0/s1
InChIKeySCQLMHGOZBQATF-VNXPTHQBSA-N
MW249.40 g/mol
LogP2.47
Rot. Bonds3

About N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 122125675) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID122125675
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/C[C@@H]2C[C@H]2C2CCC2)C1
InChIInChI=1S/C15H27N3/c1-11-4-3-7-18(10-11)15(16)17-9-13-8-14(13)12-5-2-6-12/h11-14H,2-10H2,1H3,(H2,16,17)/t11?,13-,14-/m0/s1
InChIKeySCQLMHGOZBQATF-VNXPTHQBSA-N
XLogP2.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.47
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'}

Analyze N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]thiomorpholine-4-carboximidamide
CID 122096518
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
(3S)-N'-[[(2R)-1,1-dioxothian-2-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 99853971
N'-[(2-tert-butyloxan-3-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816125
3-methyl-N'-[[2-(4-methylphenyl)oxan-3-yl]methyl]piperidine-1-carboximidamide
CID 111815556
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
N'-[(2-cyclopropylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 122098985
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119119004

Frequently Asked Questions

What is the IUPAC name of N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide (CID 122125675) is N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/C[C@@H]2C[C@H]2C2CCC2)C1.
What is the InChIKey of N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is SCQLMHGOZBQATF-VNXPTHQBSA-N. The full InChI is InChI=1S/C15H27N3/c1-11-4-3-7-18(10-11)15(16)17-9-13-8-14(13)12-5-2-6-12/h11-14H,2-10H2,1H3,(H2,16,17)/t11?,13-,14-/m0/s1.
What are the key properties of N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 249.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 122125675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).