N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide

C20H38N2 — CID 142469666

IUPACN'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(C)/C=C(/C)N/C(C)=N/CC(C)(C(C)C)C(C)(CC)CC
InChIInChI=1S/C20H38N2/c1-11-19(9,12-2)20(10,16(5)6)14-21-18(8)22-17(7)13-15(3)4/h13,16H,3,11-12,14H2,1-2,4-10H3,(H,21,22)/b17-13-
InChIKeyGPYIJJGUEZTBNZ-LGMDPLHJSA-N
MW306.54 g/mol
LogP5.96
Rot. Bonds8

About N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide

N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide (PubChem CID 142469666) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
PubChem CID142469666
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(C)/C=C(/C)N/C(C)=N/CC(C)(C(C)C)C(C)(CC)CC
InChIInChI=1S/C20H38N2/c1-11-19(9,12-2)20(10,16(5)6)14-21-18(8)22-17(7)13-15(3)4/h13,16H,3,11-12,14H2,1-2,4-10H3,(H,21,22)/b17-13-
InChIKeyGPYIJJGUEZTBNZ-LGMDPLHJSA-N
XLogP5.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.96
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-[(4E)-3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl]-N'-methylethanimidamide
CID 88572439
N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide
CID 123512382
N-[(2E)-3-tert-butylpenta-2,4-dien-2-yl]-N'-[4-(2-methylprop-2-enyl)cyclohexyl]ethanimidamide
CID 156099526
N-[3-[4-(but-1-en-2-ylamino)cyclohexa-1,3-dien-1-yl]prop-1-en-2-yl]-N'-(3,3-dimethylbutyl)ethanimidamide
CID 143053469

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide (CID 142469666) is N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide is C=C(C)/C=C(/C)N/C(C)=N/CC(C)(C(C)C)C(C)(CC)CC.
What is the InChIKey of N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide?
The InChIKey is GPYIJJGUEZTBNZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H38N2/c1-11-19(9,12-2)20(10,16(5)6)14-21-18(8)22-17(7)13-15(3)4/h13,16H,3,11-12,14H2,1-2,4-10H3,(H,21,22)/b17-13-.
What are the key properties of N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide?
N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide has a molecular weight of 306.54 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-2,3-dimethyl-2-propan-2-ylpentyl)-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 142469666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).