N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide

C10H18N2 — CID 91526316

IUPACN,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
SMILESC=C(C)C(=CC)/N=C(\C)N(C)C
InChIInChI=1S/C10H18N2/c1-7-10(8(2)3)11-9(4)12(5)6/h7H,2H2,1,3-6H3/b10-7?,11-9+
InChIKeyWAGPXEYYYOELGN-LQBWKNETSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds2

About N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide

N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide (PubChem CID 91526316) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
PubChem CID91526316
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
SMILESC=C(C)C(=CC)/N=C(\C)N(C)C
InChIInChI=1S/C10H18N2/c1-7-10(8(2)3)11-9(4)12(5)6/h7H,2H2,1,3-6H3/b10-7?,11-9+
InChIKeyWAGPXEYYYOELGN-LQBWKNETSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
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)-4-ethyl-3-fluorohepta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
CID 121478504
N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
N'-[(3E,5E)-4-fluoro-5-methylocta-3,5-dien-3-yl]-N,N-dimethylethanimidamide
CID 143883695
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545
lithium N,N,2,4-tetramethyl-3H-pyridin-3-id-6-amine
CID 134971132
3,4,8,9-Tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
CID 54528064
N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
CID 123219770
N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide
CID 123319103
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)ethanimidamide
CID 139818258
N,N,N',1,4-pentamethyl-2H-pyridine-6-carboximidamide
CID 142175061
N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142228197

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide (CID 91526316) is N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide is C=C(C)C(=CC)/N=C(\C)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide?
The InChIKey is WAGPXEYYYOELGN-LQBWKNETSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-10(8(2)3)11-9(4)12(5)6/h7H,2H2,1,3-6H3/b10-7?,11-9+.
What are the key properties of N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide?
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide is sourced from PubChem (CID 91526316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).