N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide

C12H27N5O — CID 104886119

IUPACN-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide
SMILESCCC1CN(/C(=N/C(C)COC)NN)CCN1C
InChIInChI=1S/C12H27N5O/c1-5-11-8-17(7-6-16(11)3)12(15-13)14-10(2)9-18-4/h10-11H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyANGWIZZVPDRAKD-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.13
Rot. Bonds4

About N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide

N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide (PubChem CID 104886119) has the molecular formula C12H27N5O and a molecular weight of 257.38 g/mol. Its IUPAC name is N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide
PubChem CID104886119
Molecular FormulaC12H27N5O
Molecular Weight257.38 g/mol
Exact Mass257.22
IUPAC NameN-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide
SMILESCCC1CN(/C(=N/C(C)COC)NN)CCN1C
InChIInChI=1S/C12H27N5O/c1-5-11-8-17(7-6-16(11)3)12(15-13)14-10(2)9-18-4/h10-11H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyANGWIZZVPDRAKD-UHFFFAOYSA-N
XLogP-0.13
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N'-(1-methoxypropan-2-yl)-2-methylmorpholine-4-carboximidamide
CID 104883311
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883911
N-amino-N'-(1-methoxypropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
CID 104887359
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
CID 102972043
N-amino-N'-(1-methoxypropan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887394
N-amino-N'-(1-methoxypropan-2-yl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882582
N-amino-N'-(1-methoxypropan-2-yl)morpholine-4-carboximidamide
CID 104883236
N-amino-N'-(1-methoxypropan-2-yl)-4-methylsulfonylpiperazine-1-carboximidamide
CID 104885840
N-amino-3,4-dimethyl-N'-propan-2-ylpiperazine-1-carboximidamide
CID 104886420
N-amino-N'-(1-methoxypropan-2-yl)-2,3-dimethylpiperidine-1-carboximidamide
CID 104884194
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104887113

Frequently Asked Questions

What is the IUPAC name of N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide (CID 104886119) is N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide is CCC1CN(/C(=N/C(C)COC)NN)CCN1C.
What is the InChIKey of N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide?
The InChIKey is ANGWIZZVPDRAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5O/c1-5-11-8-17(7-6-16(11)3)12(15-13)14-10(2)9-18-4/h10-11H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide?
N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide has a molecular weight of 257.38 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-ethyl-N'-(1-methoxypropan-2-yl)-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 104886119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).