(E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine

C15H30N4 — CID 153034225

IUPAC(E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine
SMILESCCCN/C=C(\C)C(C)(C)/N=N/C(C)(C)/C(C)=N/C
InChIInChI=1S/C15H30N4/c1-9-10-17-11-12(2)14(4,5)18-19-15(6,7)13(3)16-8/h11,17H,9-10H2,1-8H3/b12-11+,16-13+,19-18+
InChIKeyVEKGXVUJPPSLJI-OMNMBLELSA-N
MW266.43 g/mol
LogP3.99
Rot. Bonds7

About (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine

(E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine (PubChem CID 153034225) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine
PubChem CID153034225
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name(E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine
SMILESCCCN/C=C(\C)C(C)(C)/N=N/C(C)(C)/C(C)=N/C
InChIInChI=1S/C15H30N4/c1-9-10-17-11-12(2)14(4,5)18-19-15(6,7)13(3)16-8/h11,17H,9-10H2,1-8H3/b12-11+,16-13+,19-18+
InChIKeyVEKGXVUJPPSLJI-OMNMBLELSA-N
XLogP3.99
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine?
The IUPAC name of (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine (CID 153034225) is (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine.
What is the SMILES notation for (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine?
The canonical SMILES for (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine is CCCN/C=C(\C)C(C)(C)/N=N/C(C)(C)/C(C)=N/C.
What is the InChIKey of (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine?
The InChIKey is VEKGXVUJPPSLJI-OMNMBLELSA-N. The full InChI is InChI=1S/C15H30N4/c1-9-10-17-11-12(2)14(4,5)18-19-15(6,7)13(3)16-8/h11,17H,9-10H2,1-8H3/b12-11+,16-13+,19-18+.
What are the key properties of (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine?
(E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine is sourced from PubChem (CID 153034225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).