N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane

C14H30N2 — CID 172628054

IUPACN'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
SMILESCC.CCC(C)=C(/N=C(\C)N(C)C)C(C)C
InChIInChI=1S/C12H24N2.C2H6/c1-8-10(4)12(9(2)3)13-11(5)14(6)7;1-2/h9H,8H2,1-7H3;1-2H3/b12-10?,13-11+;
InChIKeyOKCSWFNXYFGTTE-UTALCKHZSA-N
MW226.41 g/mol
LogP4.33
Rot. Bonds3

About N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane

N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane (PubChem CID 172628054) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane.

Molecular Properties

Compound NameN'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
PubChem CID172628054
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
SMILESCC.CCC(C)=C(/N=C(\C)N(C)C)C(C)C
InChIInChI=1S/C12H24N2.C2H6/c1-8-10(4)12(9(2)3)13-11(5)14(6)7;1-2/h9H,8H2,1-7H3;1-2H3/b12-10?,13-11+;
InChIKeyOKCSWFNXYFGTTE-UTALCKHZSA-N
XLogP4.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.33
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'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 139818255
N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)ethanimidamide
CID 139818258
1,2,4,4,5,6-Hexamethylpyrimidine
CID 141852891
N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide
CID 144619205
N'-[(E)-3,4-dimethylpent-2-en-2-yl]-N-methylideneethanimidamide
CID 154973119
2,3,4,5-tetramethylhexa-2,4-diene;bis(N,N,3-trimethylbut-2-en-2-amine);bis(N,N,N'-trimethylethanimidamide)
CID 159200626
N'-(2,4-dimethylpent-2-en-3-yl)-N,N,2-trimethylpropanimidamide
CID 169991234
2,3,6-Trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine
CID 172627849
N'-[(Z)-2-cyanopent-2-en-3-yl]-N,N-dimethylethanimidamide
CID 7237500
N'-(2-cyanopent-2-en-3-yl)-N,N-dimethylethanimidamide
CID 78146426

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane?
The IUPAC name of N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane (CID 172628054) is N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane.
What is the SMILES notation for N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane?
The canonical SMILES for N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane is CC.CCC(C)=C(/N=C(\C)N(C)C)C(C)C.
What is the InChIKey of N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane?
The InChIKey is OKCSWFNXYFGTTE-UTALCKHZSA-N. The full InChI is InChI=1S/C12H24N2.C2H6/c1-8-10(4)12(9(2)3)13-11(5)14(6)7;1-2/h9H,8H2,1-7H3;1-2H3/b12-10?,13-11+;.
What are the key properties of N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane?
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane has a molecular weight of 226.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane is sourced from PubChem (CID 172628054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).