N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide

C9H16N2 — CID 135257456

IUPACN'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
SMILESC/C=C(C)\C=C(C)/N=C(\C)N
InChIInChI=1S/C9H16N2/c1-5-7(2)6-8(3)11-9(4)10/h5-6H,1-4H3,(H2,10,11)/b7-5-,8-6-
InChIKeyGAJTYVDMNAVPFP-SFECMWDFSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds2

About N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide

N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide (PubChem CID 135257456) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
PubChem CID135257456
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
SMILESC/C=C(C)\C=C(C)/N=C(\C)N
InChIInChI=1S/C9H16N2/c1-5-7(2)6-8(3)11-9(4)10/h5-6H,1-4H3,(H2,10,11)/b7-5-,8-6-
InChIKeyGAJTYVDMNAVPFP-SFECMWDFSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
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
N'-[(3E)-5-fluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]-2-methylprop-2-enimidamide
CID 164867167
N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
CID 164867572
N'-cyclohexa-1,3-dien-1-ylethanimidamide
CID 68215787
N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
CID 91142648
N'-[(E)-hex-2-en-2-yl]ethanimidamide
CID 117998023
N'-pent-2-en-2-ylethanimidamide
CID 123240673
N'-(4-methylpent-2-en-2-yl)ethanimidamide
CID 123304139
N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
N'-(4-methylpenta-1,3-dien-2-yl)ethanimidamide
CID 123817125

Frequently Asked Questions

What is the IUPAC name of N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide (CID 135257456) is N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide is C/C=C(C)\C=C(C)/N=C(\C)N.
What is the InChIKey of N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide?
The InChIKey is GAJTYVDMNAVPFP-SFECMWDFSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7(2)6-8(3)11-9(4)10/h5-6H,1-4H3,(H2,10,11)/b7-5-,8-6-.
What are the key properties of N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide?
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 135257456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).