ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine

C14H32N4 — CID 144622151

IUPACethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
SMILESC/N=C(\C=C(/C)N)N1CCN(C)CC1.CC.CC
InChIInChI=1S/C10H20N4.2C2H6/c1-9(11)8-10(12-2)14-6-4-13(3)5-7-14;2*1-2/h8H,4-7,11H2,1-3H3;2*1-2H3/b9-8+,12-10+;;
InChIKeyUIAONSVDJISPPN-PTBAEWOISA-N
MW256.44 g/mol
LogP2.18
Rot. Bonds1

About ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine

ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine (PubChem CID 144622151) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine.

Molecular Properties

Compound Nameethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
PubChem CID144622151
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Nameethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
SMILESC/N=C(\C=C(/C)N)N1CCN(C)CC1.CC.CC
InChIInChI=1S/C10H20N4.2C2H6/c1-9(11)8-10(12-2)14-6-4-13(3)5-7-14;2*1-2/h8H,4-7,11H2,1-3H3;2*1-2H3/b9-8+,12-10+;;
InChIKeyUIAONSVDJISPPN-PTBAEWOISA-N
XLogP2.18
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
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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Related Compounds

(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(E)-4-imino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 68400036
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
CID 90452846
2-amino-N-[2-(dimethylamino)ethyl]-N,N'-diethyl-4-iminobut-2-enimidamide
CID 124003006
N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide
CID 126706479
N,N-dimethyl-1-(6-methyl-1,4-dihydropyrimidin-2-yl)methanamine
CID 142082996
ethane;(2E)-1-methylimino-1-piperazin-1-yl-N-propan-2-ylpenta-2,4-dien-2-amine
CID 144239693
2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine
CID 144995485
ethane;(2Z)-2-(4-ethylpiperazin-2-ylidene)ethanimidamide
CID 145573509
(2Z)-2-(4,5-dimethylpiperazin-2-ylidene)-N'-methylethanimidamide
CID 148190135
N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine
CID 153629257

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The IUPAC name of ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine (CID 144622151) is ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine.
What is the SMILES notation for ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The canonical SMILES for ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine is C/N=C(\C=C(/C)N)N1CCN(C)CC1.CC.CC.
What is the InChIKey of ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The InChIKey is UIAONSVDJISPPN-PTBAEWOISA-N. The full InChI is InChI=1S/C10H20N4.2C2H6/c1-9(11)8-10(12-2)14-6-4-13(3)5-7-14;2*1-2/h8H,4-7,11H2,1-3H3;2*1-2H3/b9-8+,12-10+;;.
What are the key properties of ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine?
ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine has a molecular weight of 256.44 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine is sourced from PubChem (CID 144622151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).