3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine

C9H18N4 — CID 149081592

IUPAC3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine
SMILESC/N=C/C(=CN)N1CCN(C)CC1
InChIInChI=1S/C9H18N4/c1-11-8-9(7-10)13-5-3-12(2)4-6-13/h7-8H,3-6,10H2,1-2H3/b9-7?,11-8+
InChIKeyPLHKEMYYYFAYMM-USAYTYELSA-N
MW182.27 g/mol
LogP-0.27
Rot. Bonds2

About 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine

3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine (PubChem CID 149081592) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine
PubChem CID149081592
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine
SMILESC/N=C/C(=CN)N1CCN(C)CC1
InChIInChI=1S/C9H18N4/c1-11-8-9(7-10)13-5-3-12(2)4-6-13/h7-8H,3-6,10H2,1-2H3/b9-7?,11-8+
InChIKeyPLHKEMYYYFAYMM-USAYTYELSA-N
XLogP-0.27
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The IUPAC name of 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine (CID 149081592) is 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The canonical SMILES for 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine is C/N=C/C(=CN)N1CCN(C)CC1.
What is the InChIKey of 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The InChIKey is PLHKEMYYYFAYMM-USAYTYELSA-N. The full InChI is InChI=1S/C9H18N4/c1-11-8-9(7-10)13-5-3-12(2)4-6-13/h7-8H,3-6,10H2,1-2H3/b9-7?,11-8+.
What are the key properties of 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine has a molecular weight of 182.27 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-2-(4-methylpiperazin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 149081592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).