(E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide

C10H20N2 — CID 123271328

IUPAC(E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide
SMILESC/C=C(C)/C(=N\C)NC(C)(C)C
InChIInChI=1S/C10H20N2/c1-7-8(2)9(11-6)12-10(3,4)5/h7H,1-6H3,(H,11,12)/b8-7+
InChIKeyDQMFGTDPQUUUSX-BQYQJAHWSA-N
MW168.28 g/mol
LogP2.37
Rot. Bonds1

About (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide

(E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide (PubChem CID 123271328) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide
PubChem CID123271328
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide
SMILESC/C=C(C)/C(=N\C)NC(C)(C)C
InChIInChI=1S/C10H20N2/c1-7-8(2)9(11-6)12-10(3,4)5/h7H,1-6H3,(H,11,12)/b8-7+
InChIKeyDQMFGTDPQUUUSX-BQYQJAHWSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.37
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

N,1-ditert-butyl-3-methyl-2H-pyrrol-1-ium-5-amine chloride
CID 10490548
N-tert-butyl-N',2-dimethylprop-2-enimidamide;perchloric acid
CID 24199763
2-methyl-N,N'-di(propan-2-yl)prop-2-enimidamide
CID 88832844
(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
CID 118972865
(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
CID 118973189
N',2-dimethyl-N-propylprop-2-enimidamide
CID 118973463
N'-methyl-N-(2-methylbut-2-enyl)propanimidamide
CID 123564371
2-methyl-N,N'-dipropylprop-2-enimidamide
CID 149152627
2-N,5-N-ditert-butyl-3,4-dimethylpyrrole-2,5-diimine
CID 154502300
N',2,3-trimethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 154993324
N-[(Z)-but-2-en-2-yl]-N'-methyl-2-methylidenebutanimidamide
CID 169694681
(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N',2-dimethylpenta-2,4-dienimidamide
CID 169862497

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide?
The IUPAC name of (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide (CID 123271328) is (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide.
What is the SMILES notation for (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide?
The canonical SMILES for (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide is C/C=C(C)/C(=N\C)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide?
The InChIKey is DQMFGTDPQUUUSX-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20N2/c1-7-8(2)9(11-6)12-10(3,4)5/h7H,1-6H3,(H,11,12)/b8-7+.
What are the key properties of (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide?
(E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-N',2-dimethylbut-2-enimidamide is sourced from PubChem (CID 123271328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).