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

C10H20N2 — CID 139924793

IUPACN,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
SMILESCCN(/C=N/C(C)=C(C)C)CC
InChIInChI=1S/C10H20N2/c1-6-12(7-2)8-11-10(5)9(3)4/h8H,6-7H2,1-5H3/b11-8+
InChIKeyZMGPCFMPOMGHBT-DHZHZOJOSA-N
MW168.28 g/mol
LogP2.67
Rot. Bonds4

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

N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide (PubChem CID 139924793) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
PubChem CID139924793
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
SMILESCCN(/C=N/C(C)=C(C)C)CC
InChIInChI=1S/C10H20N2/c1-6-12(7-2)8-11-10(5)9(3)4/h8H,6-7H2,1-5H3/b11-8+
InChIKeyZMGPCFMPOMGHBT-DHZHZOJOSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.67
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

4-methyl-1-propan-2-yl-6-propan-2-ylidene-5H-pyrimidin-5-ide;yttrium
CID 58763092
1,5,6-trimethyl-4H-pyrimidine
CID 117884493
N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 139818256
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
CID 139818257
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide;ethane
CID 156893020
N-ethyl-N-methyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 168197139
N,N-diethyl-N'-prop-1-en-2-ylmethanimidamide
CID 11320980
N,N'-diethyl-N-prop-1-en-2-ylmethanimidamide
CID 45087850
N,N'-dimethyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 143160390

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide?
The IUPAC name of N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide (CID 139924793) is N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide.
What is the SMILES notation for N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide?
The canonical SMILES for N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide is CCN(/C=N/C(C)=C(C)C)CC.
What is the InChIKey of N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide?
The InChIKey is ZMGPCFMPOMGHBT-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-12(7-2)8-11-10(5)9(3)4/h8H,6-7H2,1-5H3/b11-8+.
What are the key properties of N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide?
N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide is sourced from PubChem (CID 139924793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).