N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide

C12H24N2 — CID 155447958

IUPACN-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide
SMILESC=C(N(/C=N/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-10(11(2,3)4)14(9-13-8)12(5,6)7/h9H,1H2,2-8H3/b13-9+
InChIKeyBBPLKUKVCMKEAC-UKTHLTGXSA-N
MW196.34 g/mol
LogP3.30
Rot. Bonds2

About N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide

N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide (PubChem CID 155447958) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide
PubChem CID155447958
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide
SMILESC=C(N(/C=N/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-10(11(2,3)4)14(9-13-8)12(5,6)7/h9H,1H2,2-8H3/b13-9+
InChIKeyBBPLKUKVCMKEAC-UKTHLTGXSA-N
XLogP3.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
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 N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide?
The IUPAC name of N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide (CID 155447958) is N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide.
What is the SMILES notation for N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide?
The canonical SMILES for N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide is C=C(N(/C=N/C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide?
The InChIKey is BBPLKUKVCMKEAC-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(11(2,3)4)14(9-13-8)12(5,6)7/h9H,1H2,2-8H3/b13-9+.
What are the key properties of N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide?
N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide is sourced from PubChem (CID 155447958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).