3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide

C14H28IN3 — CID 111970356

IUPAC3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC2(C(C)C)CC2)C1.I
InChIInChI=1S/C14H27N3.HI/c1-11(2)14(6-7-14)10-16-13(15)17-8-4-5-12(3)9-17;/h11-12H,4-10H2,1-3H3,(H2,15,16);1H
InChIKeyLVIBUGBGJLPEFP-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.09
Rot. Bonds3

About 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide

3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111970356) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111970356
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC2(C(C)C)CC2)C1.I
InChIInChI=1S/C14H27N3.HI/c1-11(2)14(6-7-14)10-16-13(15)17-8-4-5-12(3)9-17;/h11-12H,4-10H2,1-3H3,(H2,15,16);1H
InChIKeyLVIBUGBGJLPEFP-UHFFFAOYSA-N
XLogP3.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.09
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
CID 111076526
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
N'-[(4-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120662356
N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119147169
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111816568
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111970356) is 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CC2(C(C)C)CC2)C1.I.
What is the InChIKey of 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is LVIBUGBGJLPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-11(2)14(6-7-14)10-16-13(15)17-8-4-5-12(3)9-17;/h11-12H,4-10H2,1-3H3,(H2,15,16);1H.
What are the key properties of 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111970356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).