2-methyl-N'-(2-methylpropyl)prop-2-enimidamide

C8H16N2 — CID 90961538

IUPAC2-methyl-N'-(2-methylpropyl)prop-2-enimidamide
SMILESC=C(C)/C(N)=N/CC(C)C
InChIInChI=1S/C8H16N2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3,(H2,9,10)
InChIKeyJSMZQCXYBTWFBU-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds3

About 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide

2-methyl-N'-(2-methylpropyl)prop-2-enimidamide (PubChem CID 90961538) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide.

Molecular Properties

Compound Name2-methyl-N'-(2-methylpropyl)prop-2-enimidamide
PubChem CID90961538
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-N'-(2-methylpropyl)prop-2-enimidamide
SMILESC=C(C)/C(N)=N/CC(C)C
InChIInChI=1S/C8H16N2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3,(H2,9,10)
InChIKeyJSMZQCXYBTWFBU-UHFFFAOYSA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
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

2-methylpropane;prop-1-en-2-amine
CID 174893746
N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide
CID 152658412
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
5-methoxy-3-methylidene-N-(2-methylpropyl)pentan-2-imine
CID 169113962
methyl 3-hydroxy-3-methoxy-2-[N'-(2-methylpropyl)carbamimidoyl]prop-2-enoate
CID 135464020
1-(5-methylhexan-2-yl)-2-(2-methylpropyl)guanidine
CID 63925910
2-(2-methylpropylimino)propanoic acid
CID 45086648
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645
1-methoxy-N-(2-methylpropyl)propan-2-imine
CID 14242576
2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine
CID 166731643
1-(3-hydroxy-2-methylpropyl)-2-(2-methylpropyl)guanidine
CID 63363054
1-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
CID 62361751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide?
The IUPAC name of 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide (CID 90961538) is 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide.
What is the SMILES notation for 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide?
The canonical SMILES for 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide is C=C(C)/C(N)=N/CC(C)C.
What is the InChIKey of 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide?
The InChIKey is JSMZQCXYBTWFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3,(H2,9,10).
What are the key properties of 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide?
2-methyl-N'-(2-methylpropyl)prop-2-enimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-methylpropyl)prop-2-enimidamide is sourced from PubChem (CID 90961538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).