N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide

C10H20N2 — CID 144723066

IUPACN'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
SMILESC=C(N/C(CC)=N/CC)C(C)C
InChIInChI=1S/C10H20N2/c1-6-10(11-7-2)12-9(5)8(3)4/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyJQZFQGNOBQOJTE-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.57
Rot. Bonds4

About N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide

N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide (PubChem CID 144723066) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
PubChem CID144723066
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
SMILESC=C(N/C(CC)=N/CC)C(C)C
InChIInChI=1S/C10H20N2/c1-6-10(11-7-2)12-9(5)8(3)4/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyJQZFQGNOBQOJTE-UHFFFAOYSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.57
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'}

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Related Compounds

7-Methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine
CID 22959165
6-methylidene-2-propan-2-yl-4,5-dihydro-1H-pyrimidine
CID 22959167
N',2-dimethyl-N-prop-1-en-2-ylpropanimidamide
CID 89152922
2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylpropanimidamide
CID 89152923
N-but-1-en-2-yl-N'-methylethanimidamide
CID 89152931
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
CID 91266873
6-Tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 91449481
2,2-dimethyl-N'-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
CID 123700075
N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide
CID 126547303
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide
CID 129173047
N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
CID 137495867
N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
CID 138527588

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide?
The IUPAC name of N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide (CID 144723066) is N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide.
What is the SMILES notation for N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide?
The canonical SMILES for N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide is C=C(N/C(CC)=N/CC)C(C)C.
What is the InChIKey of N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide?
The InChIKey is JQZFQGNOBQOJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-10(11-7-2)12-9(5)8(3)4/h8H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide?
N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide is sourced from PubChem (CID 144723066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).