N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide

C10H20N2 — CID 118519253

IUPACN-ethenyl-N-ethyl-N',2-dimethylbutanimidamide
SMILESC=CN(CC)/C(=N/C)C(C)CC
InChIInChI=1S/C10H20N2/c1-6-9(4)10(11-5)12(7-2)8-3/h7,9H,2,6,8H2,1,3-5H3/b11-10+
InChIKeyMNASRMADBHALBE-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.53
Rot. Bonds4

About N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide

N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide (PubChem CID 118519253) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-ethyl-N',2-dimethylbutanimidamide
PubChem CID118519253
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-ethenyl-N-ethyl-N',2-dimethylbutanimidamide
SMILESC=CN(CC)/C(=N/C)C(C)CC
InChIInChI=1S/C10H20N2/c1-6-9(4)10(11-5)12(7-2)8-3/h7,9H,2,6,8H2,1,3-5H3/b11-10+
InChIKeyMNASRMADBHALBE-ZHACJKMWSA-N
XLogP2.53
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 ≤ 52.53
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-ethenyl-N-ethyl-N',2-dimethylbutanimidamide?
The IUPAC name of N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide (CID 118519253) is N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide.
What is the SMILES notation for N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide?
The canonical SMILES for N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide is C=CN(CC)/C(=N/C)C(C)CC.
What is the InChIKey of N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide?
The InChIKey is MNASRMADBHALBE-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-9(4)10(11-5)12(7-2)8-3/h7,9H,2,6,8H2,1,3-5H3/b11-10+.
What are the key properties of N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide?
N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethyl-N',2-dimethylbutanimidamide is sourced from PubChem (CID 118519253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).