(Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine

C8H16N4 — CID 139358067

IUPAC(Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNC(C)CN1
InChIInChI=1S/C8H16N4/c1-6-4-12-8(5-11-6)7(2-9)3-10/h2-3,6,8-9,11-12H,4-5,10H2,1H3/b7-3+,9-2+
InChIKeyPLZKOBPERDGKQD-DLNYEMBMSA-N
MW168.24 g/mol
LogP-0.57
Rot. Bonds2

About (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine

(Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine (PubChem CID 139358067) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine
PubChem CID139358067
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNC(C)CN1
InChIInChI=1S/C8H16N4/c1-6-4-12-8(5-11-6)7(2-9)3-10/h2-3,6,8-9,11-12H,4-5,10H2,1H3/b7-3+,9-2+
InChIKeyPLZKOBPERDGKQD-DLNYEMBMSA-N
XLogP-0.57
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
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 (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine (CID 139358067) is (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)C1CNC(C)CN1.
What is the InChIKey of (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine?
The InChIKey is PLZKOBPERDGKQD-DLNYEMBMSA-N. The full InChI is InChI=1S/C8H16N4/c1-6-4-12-8(5-11-6)7(2-9)3-10/h2-3,6,8-9,11-12H,4-5,10H2,1H3/b7-3+,9-2+.
What are the key properties of (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine?
(Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine has a molecular weight of 168.24 g/mol, XLogP of -0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-(5-methylpiperazin-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 139358067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).