(Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine

C10H20N4 — CID 139358528

IUPAC(Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)C1NC(C)CNC1C
InChIInChI=1S/C10H20N4/c1-6-5-13-8(3)10(14-6)9(4-11)7(2)12/h4,6,8,10-11,13-14H,5,12H2,1-3H3/b9-7+,11-4+
InChIKeyRFTZBMWLROBOIW-KLGRRIHOSA-N
MW196.30 g/mol
LogP0.21
Rot. Bonds2

About (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine

(Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine (PubChem CID 139358528) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine
PubChem CID139358528
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)C1NC(C)CNC1C
InChIInChI=1S/C10H20N4/c1-6-5-13-8(3)10(14-6)9(4-11)7(2)12/h4,6,8,10-11,13-14H,5,12H2,1-3H3/b9-7+,11-4+
InChIKeyRFTZBMWLROBOIW-KLGRRIHOSA-N
XLogP0.21
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,1,1-trifluoro-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine
CID 139357734
1,1,1-Trifluoro-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine
CID 162574140
N-methyl-4-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 68179646
1-(2,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-N-methylmethanimine
CID 130182248
(Z)-2-(3,6-dimethylpiperazin-2-yl)-3-iminoprop-1-en-1-amine
CID 139356984
(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine
CID 139357833
(Z)-3-imino-2-(3,5,6-trimethylpiperazin-2-yl)prop-1-en-1-amine
CID 139357976
(Z)-3-imino-2-(3-methylpiperazin-2-yl)prop-1-en-1-amine
CID 139358814
(Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine
CID 139358883
(Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine
CID 139358975
N-[(2S)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl]ethanimine
CID 143603226
N-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]propan-1-amine
CID 156421111

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine?
The IUPAC name of (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine (CID 139358528) is (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine.
What is the SMILES notation for (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine?
The canonical SMILES for (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine is [H]/N=C/C(=C(/C)N)C1NC(C)CNC1C.
What is the InChIKey of (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine?
The InChIKey is RFTZBMWLROBOIW-KLGRRIHOSA-N. The full InChI is InChI=1S/C10H20N4/c1-6-5-13-8(3)10(14-6)9(4-11)7(2)12/h4,6,8,10-11,13-14H,5,12H2,1-3H3/b9-7+,11-4+.
What are the key properties of (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine?
(Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine has a molecular weight of 196.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,6-dimethylpiperazin-2-yl)-4-iminobut-2-en-2-amine is sourced from PubChem (CID 139358528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).