3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide

C10H19N3 — CID 126593438

IUPAC3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
SMILES[H]/N=C(\N)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C10H19N3/c1-5-8(4)6-13-9(7(2)3)10(11)12/h6,8H,5H2,1-4H3,(H3,11,12)/b13-6+
InChIKeyULEGHZXMUSWYNO-AWNIVKPZSA-N
MW181.28 g/mol
LogP2.33
Rot. Bonds4

About 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide

3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide (PubChem CID 126593438) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide.

Molecular Properties

Compound Name3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
PubChem CID126593438
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
SMILES[H]/N=C(\N)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C10H19N3/c1-5-8(4)6-13-9(7(2)3)10(11)12/h6,8H,5H2,1-4H3,(H3,11,12)/b13-6+
InChIKeyULEGHZXMUSWYNO-AWNIVKPZSA-N
XLogP2.33
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The IUPAC name of 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide (CID 126593438) is 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide.
What is the SMILES notation for 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The canonical SMILES for 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide is [H]/N=C(\N)C(/N=C/C(C)CC)=C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The InChIKey is ULEGHZXMUSWYNO-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-8(4)6-13-9(7(2)3)10(11)12/h6,8H,5H2,1-4H3,(H3,11,12)/b13-6+.
What are the key properties of 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide has a molecular weight of 181.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide is sourced from PubChem (CID 126593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).