N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide

C8H16N2 — CID 145257839

IUPACN,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide
SMILESC=C(C(C)C)N(C)/C=N/C
InChIInChI=1S/C8H16N2/c1-7(2)8(3)10(5)6-9-4/h6-7H,3H2,1-2,4-5H3/b9-6+
InChIKeyZHWAWMMZGDTEOT-RMKNXTFCSA-N
MW140.23 g/mol
LogP1.75
Rot. Bonds3

About N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide

N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide (PubChem CID 145257839) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide
PubChem CID145257839
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide
SMILESC=C(C(C)C)N(C)/C=N/C
InChIInChI=1S/C8H16N2/c1-7(2)8(3)10(5)6-9-4/h6-7H,3H2,1-2,4-5H3/b9-6+
InChIKeyZHWAWMMZGDTEOT-RMKNXTFCSA-N
XLogP1.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.75
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

1,3-dimethyl-6-propan-2-yl-4H-pyrimidin-3-ium
CID 91197435
N'-but-1-en-2-yl-N,N-dimethylmethanimidamide
CID 123563027
But-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
CID 123840682
N'-(2,2-dimethylpropyl)-N-methyl-N-prop-1-en-2-ylmethanimidamide
CID 132077455
N,N-dimethyl-N'-(4-methylpent-1-en-2-yl)methanimidamide
CID 134594199
N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
CID 137495867
1,6-Dimethyl-4-propan-2-ylpyrimidine
CID 139498953
ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 142224396
ethane;N'-methyl-N-prop-1-en-2-yl-N-propylmethanimidamide
CID 144135291
N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
CID 146389581
N-methyl-N'-(3-methylbut-1-en-2-yl)-N-propan-2-ylmethanimidamide
CID 148205664
N-tert-butyl-N-(3,3-dimethylbut-1-en-2-yl)-N'-methylmethanimidamide
CID 155447958

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide?
The IUPAC name of N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide (CID 145257839) is N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide?
The canonical SMILES for N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide is C=C(C(C)C)N(C)/C=N/C.
What is the InChIKey of N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide?
The InChIKey is ZHWAWMMZGDTEOT-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)8(3)10(5)6-9-4/h6-7H,3H2,1-2,4-5H3/b9-6+.
What are the key properties of N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide?
N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide is sourced from PubChem (CID 145257839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).