N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide

C14H28IN3 — CID 119130051

IUPACN-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C14H27N3.HI/c1-5-15-13(16-12-9-14(12,3)4)17-8-6-7-11(2)10-17;/h11-12H,5-10H2,1-4H3,(H,15,16);1H
InChIKeyATFINKUCELSFLF-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.10
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide

N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119130051) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119130051
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC NameN-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C14H27N3.HI/c1-5-15-13(16-12-9-14(12,3)4)17-8-6-7-11(2)10-17;/h11-12H,5-10H2,1-4H3,(H,15,16);1H
InChIKeyATFINKUCELSFLF-UHFFFAOYSA-N
XLogP3.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.10
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

ethyl 1-[N-(2,2-dimethylcyclopropyl)-N'-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 119130245
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144259
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
CID 111144659
N-ethyl-N'-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119999858
N',3-dimethyl-N-(2-methylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
CID 111144201
N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111983728
1-(1-cyclopropylpyrrolidin-3-yl)-3-(2,2-dimethylcyclopropyl)-2-ethylguanidine;hydroiodide
CID 119150158
N-ethyl-3-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 111144992
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
CID 111144020
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145103

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 119130051) is N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide is CC/N=C(/NC1CC1(C)C)N1CCCC(C)C1.I.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is ATFINKUCELSFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-5-15-13(16-12-9-14(12,3)4)17-8-6-7-11(2)10-17;/h11-12H,5-10H2,1-4H3,(H,15,16);1H.
What are the key properties of N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-N'-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).