N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine

C10H20N2 — CID 566431

IUPACN-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine
SMILESC=C(C=NN(CC)CC)C(C)C
InChIInChI=1S/C10H20N2/c1-6-12(7-2)11-8-10(5)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyWQOIIQRGAJMOOT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine

N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine (PubChem CID 566431) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine
PubChem CID566431
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine
SMILESC=C(C=NN(CC)CC)C(C)C
InChIInChI=1S/C10H20N2/c1-6-12(7-2)11-8-10(5)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyWQOIIQRGAJMOOT-UHFFFAOYSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 ≤ 102

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-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine?
The IUPAC name of N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine (CID 566431) is N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine.
What is the SMILES notation for N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine?
The canonical SMILES for N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine is C=C(C=NN(CC)CC)C(C)C.
What is the InChIKey of N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine?
The InChIKey is WQOIIQRGAJMOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-12(7-2)11-8-10(5)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine?
N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine has a molecular weight of 168.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methyl-2-methylidenebutylidene)amino]ethanamine is sourced from PubChem (CID 566431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).