N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide

C8H16N2 — CID 45087850

IUPACN,N'-diethyl-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N(/C=N/CC)CC
InChIInChI=1S/C8H16N2/c1-5-9-7-10(6-2)8(3)4/h7H,3,5-6H2,1-2,4H3/b9-7+
InChIKeyZFKYFVKJBCNNMW-VQHVLOKHSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds4

About N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide

N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide (PubChem CID 45087850) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-N-prop-1-en-2-ylmethanimidamide
PubChem CID45087850
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN,N'-diethyl-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N(/C=N/CC)CC
InChIInChI=1S/C8H16N2/c1-5-9-7-10(6-2)8(3)4/h7H,3,5-6H2,1-2,4H3/b9-7+
InChIKeyZFKYFVKJBCNNMW-VQHVLOKHSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
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'}

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Related Compounds

N,N-dimethyl-N'-prop-1-en-2-ylmethanimidamide
CID 12222069
2-Dimethylaminomethyleneamino-3-dimethylaminopropene
CID 129800192
1-Prop-1-en-2-yl-4,5-dihydroimidazole
CID 12159152
N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 57036492
1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine
CID 70349310
N,N'-di(propan-2-yl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 90338328
N-[(Z)-but-2-en-2-yl]-N'-ethenyl-N-methylmethanimidamide
CID 118900941
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
But-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
CID 123840682
[Buta-1,3-dien-2-yl(propyl)amino]methylidene-dimethylazanium
CID 124034455
N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide
CID 126626579
N,N'-dimethyl-N-prop-1-en-2-ylmethanimidamide
CID 129273605

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide (CID 45087850) is N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide is C=C(C)N(/C=N/CC)CC.
What is the InChIKey of N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide?
The InChIKey is ZFKYFVKJBCNNMW-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-9-7-10(6-2)8(3)4/h7H,3,5-6H2,1-2,4H3/b9-7+.
What are the key properties of N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide?
N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 45087850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).