(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine

C11H22N4 — CID 139357833

IUPAC(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C(C)C)CNC1C
InChIInChI=1S/C11H22N4/c1-7(2)10-6-14-8(3)11(15-10)9(4-12)5-13/h4-5,7-8,10-12,14-15H,6,13H2,1-3H3/b9-5+,12-4+
InChIKeyZKUIJFSVZVXAFW-RQYNKHSYSA-N
MW210.32 g/mol
LogP0.45
Rot. Bonds3

About (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine

(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine (PubChem CID 139357833) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine
PubChem CID139357833
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C(C)C)CNC1C
InChIInChI=1S/C11H22N4/c1-7(2)10-6-14-8(3)11(15-10)9(4-12)5-13/h4-5,7-8,10-12,14-15H,6,13H2,1-3H3/b9-5+,12-4+
InChIKeyZKUIJFSVZVXAFW-RQYNKHSYSA-N
XLogP0.45
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.45
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-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine (CID 139357833) is (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C(C)C)CNC1C.
What is the InChIKey of (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine?
The InChIKey is ZKUIJFSVZVXAFW-RQYNKHSYSA-N. The full InChI is InChI=1S/C11H22N4/c1-7(2)10-6-14-8(3)11(15-10)9(4-12)5-13/h4-5,7-8,10-12,14-15H,6,13H2,1-3H3/b9-5+,12-4+.
What are the key properties of (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine?
(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 139357833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).