N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide

C10H18N4 — CID 118973125

IUPACN-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(C)=C/N1CCNC(C)C1
InChIInChI=1S/C10H18N4/c1-9(5-12-8-11)6-14-4-3-13-10(2)7-14/h5-6,8,10-11,13H,3-4,7H2,1-2H3/b9-6+,11-8+,12-5+
InChIKeyNXCRMJYYZLFXBR-QCOMMTETSA-N
MW194.28 g/mol
LogP0.86
Rot. Bonds3

About N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide

N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide (PubChem CID 118973125) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide
PubChem CID118973125
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(C)=C/N1CCNC(C)C1
InChIInChI=1S/C10H18N4/c1-9(5-12-8-11)6-14-4-3-13-10(2)7-14/h5-6,8,10-11,13H,3-4,7H2,1-2H3/b9-6+,11-8+,12-5+
InChIKeyNXCRMJYYZLFXBR-QCOMMTETSA-N
XLogP0.86
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.86
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide?
The IUPAC name of N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide (CID 118973125) is N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide.
What is the SMILES notation for N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide?
The canonical SMILES for N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide is [H]/N=C/N=C/C(C)=C/N1CCNC(C)C1.
What is the InChIKey of N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide?
The InChIKey is NXCRMJYYZLFXBR-QCOMMTETSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(5-12-8-11)6-14-4-3-13-10(2)7-14/h5-6,8,10-11,13H,3-4,7H2,1-2H3/b9-6+,11-8+,12-5+.
What are the key properties of N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide?
N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide has a molecular weight of 194.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide is sourced from PubChem (CID 118973125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).