3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide

C12H26N4 — CID 61432783

IUPAC3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N4/c1-10(11(13)14)9-15-5-7-16(8-6-15)12(2,3)4/h10H,5-9H2,1-4H3,(H3,13,14)
InChIKeyBVMPBISDDNTORI-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.97
Rot. Bonds3

About 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide

3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide (PubChem CID 61432783) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
PubChem CID61432783
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N4/c1-10(11(13)14)9-15-5-7-16(8-6-15)12(2,3)4/h10H,5-9H2,1-4H3,(H3,13,14)
InChIKeyBVMPBISDDNTORI-UHFFFAOYSA-N
XLogP0.97
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide
CID 43175069
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide
CID 43368064
methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
CID 61432891
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
3-(4,4-dimethylazepan-1-yl)-2-methylpropanimidamide
CID 65281491
3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 103534192
2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
CID 138743279
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropanimidamide
CID 81203073
2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65494177

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide (CID 61432783) is 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide?
The InChIKey is BVMPBISDDNTORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-10(11(13)14)9-15-5-7-16(8-6-15)12(2,3)4/h10H,5-9H2,1-4H3,(H3,13,14).
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide?
3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide has a molecular weight of 226.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 61432783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).