(3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium

C8H18N3+ — CID 163794336

IUPAC(3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium
SMILES[H]/N=C(/C=C(N)C(C)(C)C)[NH2+]C
InChIInChI=1S/C8H17N3/c1-8(2,3)6(9)5-7(10)11-4/h5H,9H2,1-4H3,(H2,10,11)/p+1
InChIKeyHYKGORBBZGPGES-UHFFFAOYSA-O
MW156.25 g/mol
LogP0.05
Rot. Bonds1

About (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium

(3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium (PubChem CID 163794336) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium.

Molecular Properties

Compound Name(3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium
PubChem CID163794336
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC Name(3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium
SMILES[H]/N=C(/C=C(N)C(C)(C)C)[NH2+]C
InChIInChI=1S/C8H17N3/c1-8(2,3)6(9)5-7(10)11-4/h5H,9H2,1-4H3,(H2,10,11)/p+1
InChIKeyHYKGORBBZGPGES-UHFFFAOYSA-O
XLogP0.05
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.05
H-Bond Donors ≤ 53
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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Related Compounds

(Z)-4-methyl-3-(methylamino)pent-2-enimidamide
CID 138655003
(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide
CID 144787200
(Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide
CID 144787213
3-amino-N',4,4-trimethylpent-2-enimidamide
CID 163794337
3-amino-N,N',4,4-tetramethylpent-2-enimidamide
CID 173491306
3-amino-N,N',4-trimethylpent-2-enimidamide
CID 173872592
(Z)-3-amino-N',4,4-trimethylpent-2-enimidamide
CID 89257921
(Z)-3-amino-N,N',4,4-tetramethylpent-2-enimidamide
CID 89257961

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium?
The IUPAC name of (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium (CID 163794336) is (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium.
What is the SMILES notation for (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium?
The canonical SMILES for (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium is [H]/N=C(/C=C(N)C(C)(C)C)[NH2+]C.
What is the InChIKey of (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium?
The InChIKey is HYKGORBBZGPGES-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N3/c1-8(2,3)6(9)5-7(10)11-4/h5H,9H2,1-4H3,(H2,10,11)/p+1.
What are the key properties of (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium?
(3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium has a molecular weight of 156.25 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,4-dimethylpent-2-enimidoyl)-methylazanium is sourced from PubChem (CID 163794336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).