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

C14H28N2 — CID 143256854

IUPACN-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane
SMILESC=C(C)/C=C(/C)C(=C)N/C=N/C.CC.CC
InChIInChI=1S/C10H16N2.2C2H6/c1-8(2)6-9(3)10(4)12-7-11-5;2*1-2/h6-7H,1,4H2,2-3,5H3,(H,11,12);2*1-2H3/b9-6-;;
InChIKeyPOIWBQVFEDPTIA-MPTFJDTDSA-N
MW224.39 g/mol
LogP4.32
Rot. Bonds4

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

N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane (PubChem CID 143256854) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane.

Molecular Properties

Compound NameN-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane
PubChem CID143256854
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane
SMILESC=C(C)/C=C(/C)C(=C)N/C=N/C.CC.CC
InChIInChI=1S/C10H16N2.2C2H6/c1-8(2)6-9(3)10(4)12-7-11-5;2*1-2/h6-7H,1,4H2,2-3,5H3,(H,11,12);2*1-2H3/b9-6-;;
InChIKeyPOIWBQVFEDPTIA-MPTFJDTDSA-N
XLogP4.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.32
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'-(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
1H-Cyclohepta[d]pyrimidine
CID 45080488
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
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
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
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 N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane?
The IUPAC name of N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane (CID 143256854) is N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane.
What is the SMILES notation for N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane?
The canonical SMILES for N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane is C=C(C)/C=C(/C)C(=C)N/C=N/C.CC.CC.
What is the InChIKey of N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane?
The InChIKey is POIWBQVFEDPTIA-MPTFJDTDSA-N. The full InChI is InChI=1S/C10H16N2.2C2H6/c1-8(2)6-9(3)10(4)12-7-11-5;2*1-2/h6-7H,1,4H2,2-3,5H3,(H,11,12);2*1-2H3/b9-6-;;.
What are the key properties of N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane?
N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane has a molecular weight of 224.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane is sourced from PubChem (CID 143256854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).