ethane;N'-hept-1-en-2-ylethanimidamide

C11H24N2 — CID 145472363

IUPACethane;N'-hept-1-en-2-ylethanimidamide
SMILESC=C(CCCCC)/N=C(\C)N.CC
InChIInChI=1S/C9H18N2.C2H6/c1-4-5-6-7-8(2)11-9(3)10;1-2/h2,4-7H2,1,3H3,(H2,10,11);1-2H3
InChIKeyCTRFGVAGTCNTND-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.48
Rot. Bonds5

About ethane;N'-hept-1-en-2-ylethanimidamide

ethane;N'-hept-1-en-2-ylethanimidamide (PubChem CID 145472363) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;N'-hept-1-en-2-ylethanimidamide.

Molecular Properties

Compound Nameethane;N'-hept-1-en-2-ylethanimidamide
PubChem CID145472363
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;N'-hept-1-en-2-ylethanimidamide
SMILESC=C(CCCCC)/N=C(\C)N.CC
InChIInChI=1S/C9H18N2.C2H6/c1-4-5-6-7-8(2)11-9(3)10;1-2/h2,4-7H2,1,3H3,(H2,10,11);1-2H3
InChIKeyCTRFGVAGTCNTND-UHFFFAOYSA-N
XLogP3.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;hept-1-en-2-amine
CID 143133065
N'-[(Z)-oct-2-en-3-yl]ethanimidamide
CID 138509627
ethane;2-methylhept-1-ene
CID 143682307
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
ethane;1-[(Z)-3-methylideneheptan-2-ylideneamino]ethenamine
CID 142420808
2-methyltetradec-1-ene
CID 521375
heptadec-1-en-2-amine;molecular hydrogen
CID 143986665
2-azidododec-1-ene
CID 150968655
3-methylidenenonan-2-one
CID 3017847
6-methylidenedodecane
CID 21453027

Frequently Asked Questions

What is the IUPAC name of ethane;N'-hept-1-en-2-ylethanimidamide?
The IUPAC name of ethane;N'-hept-1-en-2-ylethanimidamide (CID 145472363) is ethane;N'-hept-1-en-2-ylethanimidamide.
What is the SMILES notation for ethane;N'-hept-1-en-2-ylethanimidamide?
The canonical SMILES for ethane;N'-hept-1-en-2-ylethanimidamide is C=C(CCCCC)/N=C(\C)N.CC.
What is the InChIKey of ethane;N'-hept-1-en-2-ylethanimidamide?
The InChIKey is CTRFGVAGTCNTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-4-5-6-7-8(2)11-9(3)10;1-2/h2,4-7H2,1,3H3,(H2,10,11);1-2H3.
What are the key properties of ethane;N'-hept-1-en-2-ylethanimidamide?
ethane;N'-hept-1-en-2-ylethanimidamide has a molecular weight of 184.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-hept-1-en-2-ylethanimidamide is sourced from PubChem (CID 145472363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).