N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide

C10H20N2 — CID 123451617

IUPACN-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide
SMILESCCC/N=C(\C)NC(C)=C(C)C
InChIInChI=1S/C10H20N2/c1-6-7-11-10(5)12-9(4)8(2)3/h6-7H2,1-5H3,(H,11,12)
InChIKeyQYWWZRDSWBZISW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.72
Rot. Bonds3

About N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide

N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide (PubChem CID 123451617) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide.

Molecular Properties

Compound NameN-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide
PubChem CID123451617
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide
SMILESCCC/N=C(\C)NC(C)=C(C)C
InChIInChI=1S/C10H20N2/c1-6-7-11-10(5)12-9(4)8(2)3/h6-7H2,1-5H3,(H,11,12)
InChIKeyQYWWZRDSWBZISW-UHFFFAOYSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.72
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'}

Analyze N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 123668013
2,5,6-Trimethyl-1,4-dihydropyrimidine
CID 123929018
N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 139818256
3-methyl-N-(3-methylbut-2-en-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 144206943
N'-methyl-N-(3-methylbut-2-en-2-yl)ethanimidamide
CID 153254081
2-(5,6-Dimethyl-1,4-dihydropyrimidin-2-yl)ethanamine
CID 156263879
N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 156898302
ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 164589415
2-Methyl-5-propan-2-ylidene-1,4-dihydroimidazole
CID 166778585
N-ethyl-N-methyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 168197139
1-Ethylidene-2-methyl-3-(3-methylbut-2-en-2-yl)guanidine
CID 174285435
N'-[(E)-2-methylbut-1-enyl]-N-prop-1-en-2-ylethanimidamide
CID 144727000

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide?
The IUPAC name of N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide (CID 123451617) is N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide.
What is the SMILES notation for N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide?
The canonical SMILES for N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide is CCC/N=C(\C)NC(C)=C(C)C.
What is the InChIKey of N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide?
The InChIKey is QYWWZRDSWBZISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-11-10(5)12-9(4)8(2)3/h6-7H2,1-5H3,(H,11,12).
What are the key properties of N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide?
N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide is sourced from PubChem (CID 123451617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).