N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide

C13H27N5 — CID 123479757

IUPACN-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide
SMILES[H]/N=C(/N1CCC(C)CC1)N(CC)/C(=N/C)N(C)C
InChIInChI=1S/C13H27N5/c1-6-18(13(15-3)16(4)5)12(14)17-9-7-11(2)8-10-17/h11,14H,6-10H2,1-5H3/b14-12-,15-13+
InChIKeyRDCNMVNPGNNDLK-PMJBJKLVSA-N
MW253.39 g/mol
LogP1.52
Rot. Bonds1

About N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide

N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide (PubChem CID 123479757) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide
PubChem CID123479757
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC NameN-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide
SMILES[H]/N=C(/N1CCC(C)CC1)N(CC)/C(=N/C)N(C)C
InChIInChI=1S/C13H27N5/c1-6-18(13(15-3)16(4)5)12(14)17-9-7-11(2)8-10-17/h11,14H,6-10H2,1-5H3/b14-12-,15-13+
InChIKeyRDCNMVNPGNNDLK-PMJBJKLVSA-N
XLogP1.52
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propyl-N-(pyrrolidine-1-carboximidoyl)cyclopentanecarboxamide
CID 167084897
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163420
N,N-dimethylethanamine;1-ethyl-4-methylpiperidine
CID 157328296
N-[2-(diethylamino)propyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211998
N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide
CID 89153018
cyclopentyl-(4-methylazepan-1-yl)methanimine
CID 63625841
1-[(3R)-3-methylpyrrolidin-1-yl]ethanimine
CID 59072020
N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163331
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
CID 176546988
dodecyl 4-methylpiperidine-1-carboximidothioate
CID 47003002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide (CID 123479757) is N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide is [H]/N=C(/N1CCC(C)CC1)N(CC)/C(=N/C)N(C)C.
What is the InChIKey of N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide?
The InChIKey is RDCNMVNPGNNDLK-PMJBJKLVSA-N. The full InChI is InChI=1S/C13H27N5/c1-6-18(13(15-3)16(4)5)12(14)17-9-7-11(2)8-10-17/h11,14H,6-10H2,1-5H3/b14-12-,15-13+.
What are the key properties of N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide?
N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide has a molecular weight of 253.39 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(N,N,N'-trimethylcarbamimidoyl)piperidine-1-carboximidamide is sourced from PubChem (CID 123479757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).