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

C12H24N2 — CID 172628055

IUPACN'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide
SMILESCCC(C)=C(/N=C(\C)N(C)C)C(C)C
InChIInChI=1S/C12H24N2/c1-8-10(4)12(9(2)3)13-11(5)14(6)7/h9H,8H2,1-7H3/b12-10?,13-11+
InChIKeyGAWWSSNWYWUWLV-SQBYBMFESA-N
MW196.34 g/mol
LogP3.31
Rot. Bonds3

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

N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide (PubChem CID 172628055) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide
PubChem CID172628055
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide
SMILESCCC(C)=C(/N=C(\C)N(C)C)C(C)C
InChIInChI=1S/C12H24N2/c1-8-10(4)12(9(2)3)13-11(5)14(6)7/h9H,8H2,1-7H3/b12-10?,13-11+
InChIKeyGAWWSSNWYWUWLV-SQBYBMFESA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.31
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'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
CID 172628054
N'-[(Z)-2-cyanopent-2-en-3-yl]-N,N-dimethylethanimidamide
CID 7237500

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide (CID 172628055) is N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide is 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?
The InChIKey is GAWWSSNWYWUWLV-SQBYBMFESA-N. The full InChI is InChI=1S/C12H24N2/c1-8-10(4)12(9(2)3)13-11(5)14(6)7/h9H,8H2,1-7H3/b12-10?,13-11+.
What are the key properties of N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide?
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.31, 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 is sourced from PubChem (CID 172628055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).