4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide

C10H22N6 — CID 176546906

IUPAC4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCN(C(C)CC)CC1
InChIInChI=1S/C10H22N6/c1-3-8(2)15-4-6-16(7-5-15)10(13)14-9(11)12/h8H,3-7H2,1-2H3,(H5,11,12,13,14)
InChIKeyMELOEEAKJZJTJN-UHFFFAOYSA-N
MW226.33 g/mol
LogP-0.39
Rot. Bonds2

About 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide

4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide (PubChem CID 176546906) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide
PubChem CID176546906
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC Name4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide
SMILES[H]/N=C(N)/N=C(\N)N1CCN(C(C)CC)CC1
InChIInChI=1S/C10H22N6/c1-3-8(2)15-4-6-16(7-5-15)10(13)14-9(11)12/h8H,3-7H2,1-2H3,(H5,11,12,13,14)
InChIKeyMELOEEAKJZJTJN-UHFFFAOYSA-N
XLogP-0.39
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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

1-(4-butan-2-ylpiperazin-1-yl)ethanimine
CID 63173602
N'-carbamimidoyl-4-ethylazepane-1-carboximidamide
CID 176546918
N'-carbamimidoyl-3-(diethylamino)pyrrolidine-1-carboximidamide
CID 176546988
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride
CID 156599985
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
CID 176522883
3-(4-ethylpiperazin-1-yl)butanimidamide
CID 60914884
3-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 60914180
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
CID 80513357
3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62773452
N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide
CID 176546987
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol
CID 64786472

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide?
The IUPAC name of 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide (CID 176546906) is 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide?
The canonical SMILES for 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide is [H]/N=C(N)/N=C(\N)N1CCN(C(C)CC)CC1.
What is the InChIKey of 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide?
The InChIKey is MELOEEAKJZJTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-3-8(2)15-4-6-16(7-5-15)10(13)14-9(11)12/h8H,3-7H2,1-2H3,(H5,11,12,13,14).
What are the key properties of 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide?
4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide has a molecular weight of 226.33 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N'-carbamimidoylpiperazine-1-carboximidamide is sourced from PubChem (CID 176546906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).