(E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide

C11H21N3 — CID 118973170

IUPAC(E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide
SMILESCCC/C=C(C)/C(=N/C(C)C)/N=C/N
InChIInChI=1S/C11H21N3/c1-5-6-7-10(4)11(13-8-12)14-9(2)3/h7-9H,5-6H2,1-4H3,(H2,12,13,14)/b10-7+
InChIKeyJLQOHYYEUMGJAO-JXMROGBWSA-N
MW195.31 g/mol
LogP2.53
Rot. Bonds4

About (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide

(E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide (PubChem CID 118973170) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide.

Molecular Properties

Compound Name(E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide
PubChem CID118973170
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide
SMILESCCC/C=C(C)/C(=N/C(C)C)/N=C/N
InChIInChI=1S/C11H21N3/c1-5-6-7-10(4)11(13-8-12)14-9(2)3/h7-9H,5-6H2,1-4H3,(H2,12,13,14)/b10-7+
InChIKeyJLQOHYYEUMGJAO-JXMROGBWSA-N
XLogP2.53
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide?
The IUPAC name of (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide (CID 118973170) is (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide.
What is the SMILES notation for (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide?
The canonical SMILES for (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide is CCC/C=C(C)/C(=N/C(C)C)/N=C/N.
What is the InChIKey of (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide?
The InChIKey is JLQOHYYEUMGJAO-JXMROGBWSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-7-10(4)11(13-8-12)14-9(2)3/h7-9H,5-6H2,1-4H3,(H2,12,13,14)/b10-7+.
What are the key properties of (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide?
(E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide has a molecular weight of 195.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(aminomethylidene)-2-methyl-N'-propan-2-ylhex-2-enimidamide is sourced from PubChem (CID 118973170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).