N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide

C11H23N5 — CID 172938497

IUPACN'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(C(N)=N/N=C/C(C)(C)C)CC1
InChIInChI=1S/C11H23N5/c1-11(2,3)9-13-14-10(12)16-7-5-15(4)6-8-16/h9H,5-8H2,1-4H3,(H2,12,14)/b13-9+
InChIKeyVRJXZHWQQMPOJR-UKTHLTGXSA-N
MW225.34 g/mol
LogP0.58
Rot. Bonds1

About N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide

N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide (PubChem CID 172938497) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide
PubChem CID172938497
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(C(N)=N/N=C/C(C)(C)C)CC1
InChIInChI=1S/C11H23N5/c1-11(2,3)9-13-14-10(12)16-7-5-15(4)6-8-16/h9H,5-8H2,1-4H3,(H2,12,14)/b13-9+
InChIKeyVRJXZHWQQMPOJR-UKTHLTGXSA-N
XLogP0.58
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
N'-methanimidoyl-4-methylpiperazine-1-carboximidamide
CID 90056098
4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide
CID 123691769
(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
CID 145468380
N'-amino-4-tert-butylpiperazine-1-carboximidamide
CID 77053990
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
(Z)-2-hydroxy-5,5-dimethyl-1-(4-methylpiperazin-1-yl)hex-2-ene-1,4-dione
CID 44604450
tert-butyl 4-[N'-[4-(4-methylpiperazin-1-yl)butyl]carbamimidoyl]piperazine-1-carboxylate
CID 111060197
[bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid
CID 176964293
(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine
CID 155476105

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide (CID 172938497) is N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide is CN1CCN(C(N)=N/N=C/C(C)(C)C)CC1.
What is the InChIKey of N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide?
The InChIKey is VRJXZHWQQMPOJR-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H23N5/c1-11(2,3)9-13-14-10(12)16-7-5-15(4)6-8-16/h9H,5-8H2,1-4H3,(H2,12,14)/b13-9+.
What are the key properties of N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide?
N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 172938497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).