3-(4-methylpiperazin-1-yl)propanimidamide

C8H18N4 — CID 24709973

IUPAC3-(4-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(C)CC1
InChIInChI=1S/C8H18N4/c1-11-4-6-12(7-5-11)3-2-8(9)10/h2-7H2,1H3,(H3,9,10)
InChIKeyICKITXAPKQZGBZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.44
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)propanimidamide

3-(4-methylpiperazin-1-yl)propanimidamide (PubChem CID 24709973) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propanimidamide
PubChem CID24709973
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3-(4-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(C)CC1
InChIInChI=1S/C8H18N4/c1-11-4-6-12(7-5-11)3-2-8(9)10/h2-7H2,1H3,(H3,9,10)
InChIKeyICKITXAPKQZGBZ-UHFFFAOYSA-N
XLogP-0.44
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.44
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

4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384
3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide
CID 130979083
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819
3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
CID 4108841
3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide
CID 83967856
3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133
3-(2,2,6,6-tetramethylmorpholin-4-yl)propanimidamide
CID 102744123
3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide
CID 82696701
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanimidamide
CID 112625824
3-(4-methyl-1,4-diazepan-1-yl)propanethioamide
CID 28745025
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
CID 63610574

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propanimidamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propanimidamide (CID 24709973) is 3-(4-methylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propanimidamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propanimidamide is [H]/N=C(\N)CCN1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propanimidamide?
The InChIKey is ICKITXAPKQZGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-11-4-6-12(7-5-11)3-2-8(9)10/h2-7H2,1H3,(H3,9,10).
What are the key properties of 3-(4-methylpiperazin-1-yl)propanimidamide?
3-(4-methylpiperazin-1-yl)propanimidamide has a molecular weight of 170.26 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 24709973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).