3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide

C14H27N7 — CID 123479235

IUPAC3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide
SMILES[H]/N=C(C/C(=N\[H])N1CCN(CCC)CC1)\N=C(/N)C/C(C)=N/[H]
InChIInChI=1S/C14H27N7/c1-3-4-20-5-7-21(8-6-20)14(18)10-13(17)19-12(16)9-11(2)15/h15,18H,3-10H2,1-2H3,(H3,16,17,19)/b15-11+,18-14+
InChIKeyCAKXJPDXNLBFEF-DPWLMTOISA-N
MW293.42 g/mol
LogP1.15
Rot. Bonds6

About 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide

3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide (PubChem CID 123479235) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide.

Molecular Properties

Compound Name3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide
PubChem CID123479235
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide
SMILES[H]/N=C(C/C(=N\[H])N1CCN(CCC)CC1)\N=C(/N)C/C(C)=N/[H]
InChIInChI=1S/C14H27N7/c1-3-4-20-5-7-21(8-6-20)14(18)10-13(17)19-12(16)9-11(2)15/h15,18H,3-10H2,1-2H3,(H3,16,17,19)/b15-11+,18-14+
InChIKeyCAKXJPDXNLBFEF-DPWLMTOISA-N
XLogP1.15
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

CID 9859549
CID 9859549
N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide
CID 10656881
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1,4-di(propan-2-yl)piperazine
CID 10682265
3-(1,4,4-Trimethylpiperazine-1,4-diium-1-yl)propanimidamide
CID 21340611
4-(1,4,4-Trimethylpiperazine-1,4-diium-1-yl)butanimidamide
CID 21340645
N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]ethanimidamide
CID 59020879
1-(4-Ethylpiperazin-1-yl)butan-1-imine
CID 63178412
1-(4-Methylpiperazin-1-yl)butan-1-imine
CID 63178580
N-(1-aminopropylidene)-4-methylpiperazine-1-carboximidamide
CID 91078289
6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine
CID 123223581
3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide
CID 123370044
N-[1-amino-3-(3-ethylpiperazin-1-yl)-3-iminopropylidene]-N'-methyl-3-methyliminobutanimidamide
CID 123629118

Frequently Asked Questions

What is the IUPAC name of 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide?
The IUPAC name of 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide (CID 123479235) is 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide.
What is the SMILES notation for 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide?
The canonical SMILES for 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide is [H]/N=C(C/C(=N\[H])N1CCN(CCC)CC1)\N=C(/N)C/C(C)=N/[H].
What is the InChIKey of 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide?
The InChIKey is CAKXJPDXNLBFEF-DPWLMTOISA-N. The full InChI is InChI=1S/C14H27N7/c1-3-4-20-5-7-21(8-6-20)14(18)10-13(17)19-12(16)9-11(2)15/h15,18H,3-10H2,1-2H3,(H3,16,17,19)/b15-11+,18-14+.
What are the key properties of 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide?
3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide has a molecular weight of 293.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide is sourced from PubChem (CID 123479235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).