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

C8H16N2 — CID 139818257

IUPACN,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
SMILESCC(C)=C(C)/N=C/N(C)C
InChIInChI=1S/C8H16N2/c1-7(2)8(3)9-6-10(4)5/h6H,1-5H3/b9-6+
InChIKeyDONFLTCCBGIHFK-RMKNXTFCSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds2

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

N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide (PubChem CID 139818257) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
PubChem CID139818257
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
SMILESCC(C)=C(C)/N=C/N(C)C
InChIInChI=1S/C8H16N2/c1-7(2)8(3)9-6-10(4)5/h6H,1-5H3/b9-6+
InChIKeyDONFLTCCBGIHFK-RMKNXTFCSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
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

N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide
CID 118351973
N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide
CID 123235169
N,N'-dimethyl-N-(4-methylhex-3-en-3-yl)methanimidamide
CID 123816291
N'-(3-methylbut-2-en-2-yl)-N-methylidenemethanimidamide
CID 130348784
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 139818255
N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
CID 139924793
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide;ethane
CID 156893020
N,N'-dimethyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 143160390

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide (CID 139818257) is N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide is CC(C)=C(C)/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide?
The InChIKey is DONFLTCCBGIHFK-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)8(3)9-6-10(4)5/h6H,1-5H3/b9-6+.
What are the key properties of N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide?
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.89, 2 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-2-en-2-yl)methanimidamide is sourced from PubChem (CID 139818257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).