N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol

C11H24N2O — CID 156832197

IUPACN,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol
SMILESC=NN(C)C(=C)CC(C)CC.CCO
InChIInChI=1S/C9H18N2.C2H6O/c1-6-8(2)7-9(3)11(5)10-4;1-2-3/h8H,3-4,6-7H2,1-2,5H3;3H,2H2,1H3
InChIKeyKKSLLCWZCDCHTN-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.48
Rot. Bonds5

About N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol

N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol (PubChem CID 156832197) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol.

Molecular Properties

Compound NameN,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol
PubChem CID156832197
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol
SMILESC=NN(C)C(=C)CC(C)CC.CCO
InChIInChI=1S/C9H18N2.C2H6O/c1-6-8(2)7-9(3)11(5)10-4;1-2-3/h8H,3-4,6-7H2,1-2,5H3;3H,2H2,1H3
InChIKeyKKSLLCWZCDCHTN-UHFFFAOYSA-N
XLogP2.48
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol?
The IUPAC name of N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol (CID 156832197) is N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol.
What is the SMILES notation for N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol?
The canonical SMILES for N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol is C=NN(C)C(=C)CC(C)CC.CCO.
What is the InChIKey of N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol?
The InChIKey is KKSLLCWZCDCHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6O/c1-6-8(2)7-9(3)11(5)10-4;1-2-3/h8H,3-4,6-7H2,1-2,5H3;3H,2H2,1H3.
What are the key properties of N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol?
N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol has a molecular weight of 200.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(methylideneamino)hex-1-en-2-amine;ethanol is sourced from PubChem (CID 156832197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).