N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide

C12H27N5 — CID 104886298

IUPACN-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H27N5/c1-10(2)8-14-11(15-13)17-7-6-16(5)12(3,4)9-17/h10H,6-9,13H2,1-5H3,(H,14,15)
InChIKeyGNYRCPMNTSIIRC-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.49
Rot. Bonds2

About N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide

N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide (PubChem CID 104886298) has the molecular formula C12H27N5 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
PubChem CID104886298
Molecular FormulaC12H27N5
Molecular Weight241.38 g/mol
Exact Mass241.23
IUPAC NameN-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H27N5/c1-10(2)8-14-11(15-13)17-7-6-16(5)12(3,4)9-17/h10H,6-9,13H2,1-5H3,(H,14,15)
InChIKeyGNYRCPMNTSIIRC-UHFFFAOYSA-N
XLogP0.49
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-3,3,4-trimethyl-N'-propylpiperazine-1-carboximidamide
CID 104886293
N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
CID 104886290
N-amino-3,3-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104886315
N-amino-4-tert-butyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 104885333
N-amino-N'-(2-methylpropyl)-1,4-thiazepane-4-carboximidamide
CID 104885614
N-amino-4-tert-butyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104884230
N-amino-3,4-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104888959
N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 116512908
N-amino-2-ethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 104883908
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329
(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 79013019

Frequently Asked Questions

What is the IUPAC name of N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide (CID 104886298) is N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide is CC(C)C/N=C(\NN)N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
The InChIKey is GNYRCPMNTSIIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5/c1-10(2)8-14-11(15-13)17-7-6-16(5)12(3,4)9-17/h10H,6-9,13H2,1-5H3,(H,14,15).
What are the key properties of N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide?
N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3,3,4-trimethyl-N'-(2-methylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 104886298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).