(Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide

C8H17N3 — CID 144787213

IUPAC(Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide
SMILES[H]/N=C(N)/C=C(\NC)C(C)(C)C
InChIInChI=1S/C8H17N3/c1-8(2,3)6(11-4)5-7(9)10/h5,11H,1-4H3,(H3,9,10)/b6-5-
InChIKeySLJCCYFTYCAYLZ-WAYWQWQTSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds2

About (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide

(Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide (PubChem CID 144787213) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide.

Molecular Properties

Compound Name(Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide
PubChem CID144787213
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide
SMILES[H]/N=C(N)/C=C(\NC)C(C)(C)C
InChIInChI=1S/C8H17N3/c1-8(2,3)6(11-4)5-7(9)10/h5,11H,1-4H3,(H3,9,10)/b6-5-
InChIKeySLJCCYFTYCAYLZ-WAYWQWQTSA-N
XLogP1.07
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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)-3-(methylamino)hept-2-enimidamide
CID 136478022
(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide
CID 137282310
(Z)-4-methyl-3-(methylamino)pent-2-enimidamide
CID 138655003
(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide
CID 144787200
(3-Amino-4,4-dimethylpent-2-enimidoyl)-methylazanium
CID 163794336
3-amino-N',4,4-trimethylpent-2-enimidamide
CID 163794337
3-amino-N,N',4,4-tetramethylpent-2-enimidamide
CID 173491306
(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 (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide?
The IUPAC name of (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide (CID 144787213) is (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide.
What is the SMILES notation for (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide?
The canonical SMILES for (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide is [H]/N=C(N)/C=C(\NC)C(C)(C)C.
What is the InChIKey of (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide?
The InChIKey is SLJCCYFTYCAYLZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(2,3)6(11-4)5-7(9)10/h5,11H,1-4H3,(H3,9,10)/b6-5-.
What are the key properties of (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide?
(Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide has a molecular weight of 155.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide is sourced from PubChem (CID 144787213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).