(E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine

C11H20N2 — CID 134567920

IUPAC(E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C(C(/C)=C(\C)NC)\C1CCC1
InChIInChI=1S/C11H20N2/c1-8(9(2)12-3)11(13-4)10-6-5-7-10/h10,12H,5-7H2,1-4H3/b9-8+,13-11-
InChIKeySVTLORNHTBGLPW-PBEXPTJQSA-N
MW180.29 g/mol
LogP2.37
Rot. Bonds3

About (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine

(E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine (PubChem CID 134567920) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine
PubChem CID134567920
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C(C(/C)=C(\C)NC)\C1CCC1
InChIInChI=1S/C11H20N2/c1-8(9(2)12-3)11(13-4)10-6-5-7-10/h10,12H,5-7H2,1-4H3/b9-8+,13-11-
InChIKeySVTLORNHTBGLPW-PBEXPTJQSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The IUPAC name of (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine (CID 134567920) is (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine is C/N=C(C(/C)=C(\C)NC)\C1CCC1.
What is the InChIKey of (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
The InChIKey is SVTLORNHTBGLPW-PBEXPTJQSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(9(2)12-3)11(13-4)10-6-5-7-10/h10,12H,5-7H2,1-4H3/b9-8+,13-11-.
What are the key properties of (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine?
(E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclobutyl-N,3-dimethyl-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 134567920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).