ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide

C15H30N2 — CID 143256830

IUPACethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
SMILESC=C(C)/C=C(/CC)C(=C)N/C=N/C.CC.CC
InChIInChI=1S/C11H18N2.2C2H6/c1-6-11(7-9(2)3)10(4)13-8-12-5;2*1-2/h7-8H,2,4,6H2,1,3,5H3,(H,12,13);2*1-2H3/b11-7-;;
InChIKeyJIKYYXIMLYEHFA-FJJKMGSJSA-N
MW238.42 g/mol
LogP4.71
Rot. Bonds5

About ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide

ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide (PubChem CID 143256830) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound Nameethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
PubChem CID143256830
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
SMILESC=C(C)/C=C(/CC)C(=C)N/C=N/C.CC.CC
InChIInChI=1S/C11H18N2.2C2H6/c1-6-11(7-9(2)3)10(4)13-8-12-5;2*1-2/h7-8H,2,4,6H2,1,3,5H3,(H,12,13);2*1-2H3/b11-7-;;
InChIKeyJIKYYXIMLYEHFA-FJJKMGSJSA-N
XLogP4.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(E)-2-[[(2E,4E)-2-ethyl-5,6-difluorohexa-2,4-dienyl]amino]pent-2-enyl]-N'-methylmethanimidamide
CID 144287765
4-(1-fluoropropyl)-6-methylidene-1H-pyrimidine
CID 144606019
N'-(3-aminoprop-1-en-2-yl)-N-[(2E,4E)-2-ethyl-4,6-difluorohepta-2,4-dienyl]-N-methylmethanimidamide
CID 146227790
N-[(4Z,6E)-12-fluoro-9-methylidene-6-propyldodeca-4,6-dien-5-yl]-N'-methylmethanimidamide
CID 174078585
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide
CID 90452832
1,4,6,7-Tetrahydroquinazoline
CID 91013130
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
CID 91311689
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
CID 123443972

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The IUPAC name of ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide (CID 143256830) is ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide is C=C(C)/C=C(/CC)C(=C)N/C=N/C.CC.CC.
What is the InChIKey of ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
The InChIKey is JIKYYXIMLYEHFA-FJJKMGSJSA-N. The full InChI is InChI=1S/C11H18N2.2C2H6/c1-6-11(7-9(2)3)10(4)13-8-12-5;2*1-2/h7-8H,2,4,6H2,1,3,5H3,(H,12,13);2*1-2H3/b11-7-;;.
What are the key properties of ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide?
ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide has a molecular weight of 238.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 143256830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).