ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide

C20H42N4 — CID 144572100

IUPACethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide
SMILESCC.CC/C(N)=N\C.CC/C=C(C)\C=C(/CC)N1CCN(C)CC1
InChIInChI=1S/C14H26N2.C4H10N2.C2H6/c1-5-7-13(3)12-14(6-2)16-10-8-15(4)9-11-16;1-3-4(5)6-2;1-2/h7,12H,5-6,8-11H2,1-4H3;3H2,1-2H3,(H2,5,6);1-2H3/b13-7-,14-12+;;
InChIKeyINAUUXVXICXDJW-ZGBLZHRRSA-N
MW338.58 g/mol
LogP4.29
Rot. Bonds5

About ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide

ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide (PubChem CID 144572100) has the molecular formula C20H42N4 and a molecular weight of 338.58 g/mol. Its IUPAC name is ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide.

Molecular Properties

Compound Nameethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide
PubChem CID144572100
Molecular FormulaC20H42N4
Molecular Weight338.58 g/mol
Exact Mass338.34
IUPAC Nameethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide
SMILESCC.CC/C(N)=N\C.CC/C=C(C)\C=C(/CC)N1CCN(C)CC1
InChIInChI=1S/C14H26N2.C4H10N2.C2H6/c1-5-7-13(3)12-14(6-2)16-10-8-15(4)9-11-16;1-3-4(5)6-2;1-2/h7,12H,5-6,8-11H2,1-4H3;3H2,1-2H3,(H2,5,6);1-2H3/b13-7-,14-12+;;
InChIKeyINAUUXVXICXDJW-ZGBLZHRRSA-N
XLogP4.29
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.29
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[4-(diisocyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]ethanimidamide
CID 59012881
N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 143397811
N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine
CID 166707278
(E)-N-[[(6E)-4-[(Z)-but-2-en-2-yl]-5-methyl-6-propylidene-1H-pyrimidin-2-yl]methyl]-N-propylbut-2-en-1-amine
CID 173965440
3-[[(6E)-6-[(Z)-but-2-enylidene]-2-(piperazin-1-ylmethyl)-1H-pyrimidin-4-ylidene]amino]-N,N-dimethylpropan-1-amine
CID 143397540

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide?
The IUPAC name of ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide (CID 144572100) is ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide.
What is the SMILES notation for ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide?
The canonical SMILES for ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide is CC.CC/C(N)=N\C.CC/C=C(C)\C=C(/CC)N1CCN(C)CC1.
What is the InChIKey of ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide?
The InChIKey is INAUUXVXICXDJW-ZGBLZHRRSA-N. The full InChI is InChI=1S/C14H26N2.C4H10N2.C2H6/c1-5-7-13(3)12-14(6-2)16-10-8-15(4)9-11-16;1-3-4(5)6-2;1-2/h7,12H,5-6,8-11H2,1-4H3;3H2,1-2H3,(H2,5,6);1-2H3/b13-7-,14-12+;;.
What are the key properties of ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide?
ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide has a molecular weight of 338.58 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide is sourced from PubChem (CID 144572100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).