N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide

C8H16N2 — CID 142063019

IUPACN-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide
SMILESC/N=C/N=C(\C)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-7(8(2,3)4)10-6-9-5/h6H,1-5H3/b9-6+,10-7+
InChIKeyVVACCEFBIJZXTR-KZZDLZNXSA-N
MW140.23 g/mol
LogP2.15
Rot. Bonds1

About N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide

N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide (PubChem CID 142063019) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide
PubChem CID142063019
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide
SMILESC/N=C/N=C(\C)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-7(8(2,3)4)10-6-9-5/h6H,1-5H3/b9-6+,10-7+
InChIKeyVVACCEFBIJZXTR-KZZDLZNXSA-N
XLogP2.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.15
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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Related Compounds

3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 174243879
N-(3,3-dimethylbutan-2-ylidene)-N'-(3,3-dimethylbut-1-en-2-yl)methanimidamide;propane
CID 144648638
N-[(Z)-3,3-dimethylbut-1-enyl]-3,3-dimethylbutan-2-imine
CID 59179945
N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide
CID 59908083
N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
CID 143635668
N-(3,3-dimethylbutan-2-ylideneamino)methanamine
CID 86118020
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-methylpropan-2-amine
CID 18594020
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
N,2,2,5,6,6-hexamethylhept-4-en-3-imine
CID 123161539
4,4-dimethyl-1-methyliminopent-2-en-3-amine
CID 163879852
N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene
CID 143915901
N-(dimethylamino)-N,N'-dimethylethanimidamide;N,N-dimethyl-N'-(methyliminomethyl)ethanimidamide;N,N-dimethylprop-1-en-2-amine;tris(N,N,N'-trimethylethanimidamide)
CID 161008098

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide?
The IUPAC name of N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide (CID 142063019) is N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide is C/N=C/N=C(\C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide?
The InChIKey is VVACCEFBIJZXTR-KZZDLZNXSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(8(2,3)4)10-6-9-5/h6H,1-5H3/b9-6+,10-7+.
What are the key properties of N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide?
N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-ylidene)-N'-methylmethanimidamide is sourced from PubChem (CID 142063019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).