N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane

C15H28N2 — CID 143021132

IUPACN'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane
SMILESC=C(C)/C(C(C)=C(C)C)=C(C)\N=C(/C)N.CC
InChIInChI=1S/C13H22N2.C2H6/c1-8(2)10(5)13(9(3)4)11(6)15-12(7)14;1-2/h3H2,1-2,4-7H3,(H2,14,15);1-2H3/b13-11+;
InChIKeyXJTFDTZRWLDCHK-BNSHTTSQSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds3

About N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane

N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane (PubChem CID 143021132) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane.

Molecular Properties

Compound NameN'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane
PubChem CID143021132
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane
SMILESC=C(C)/C(C(C)=C(C)C)=C(C)\N=C(/C)N.CC
InChIInChI=1S/C13H22N2.C2H6/c1-8(2)10(5)13(9(3)4)11(6)15-12(7)14;1-2/h3H2,1-2,4-7H3,(H2,14,15);1-2H3/b13-11+;
InChIKeyXJTFDTZRWLDCHK-BNSHTTSQSA-N
XLogP4.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.60
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'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide
CID 90464549
N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide
CID 145143723
5,6-dimethyl-4-methylidene-3H-pyridin-2-amine
CID 89351277
2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine
CID 89938679
N'-[(E)-hex-2-en-2-yl]ethanimidamide
CID 117998023
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
CID 130472311
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
CID 134444275
N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
CID 134444323
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
CID 135257456
N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
CID 138473649
N'-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]ethanimidamide
CID 138567465
N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide
CID 139294854

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane?
The IUPAC name of N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane (CID 143021132) is N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane.
What is the SMILES notation for N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane?
The canonical SMILES for N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane is C=C(C)/C(C(C)=C(C)C)=C(C)\N=C(/C)N.CC.
What is the InChIKey of N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane?
The InChIKey is XJTFDTZRWLDCHK-BNSHTTSQSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-8(2)10(5)13(9(3)4)11(6)15-12(7)14;1-2/h3H2,1-2,4-7H3,(H2,14,15);1-2H3/b13-11+;.
What are the key properties of N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane?
N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane has a molecular weight of 236.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane is sourced from PubChem (CID 143021132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).