(E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine

C17H24N4 — CID 139382764

IUPAC(E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine
SMILESC=NN(C)/C=C(\C)c1cc2cc(C)n(C(C)(C)C)c2cn1
InChIInChI=1S/C17H24N4/c1-12(11-20(7)18-6)15-9-14-8-13(2)21(17(3,4)5)16(14)10-19-15/h8-11H,6H2,1-5,7H3/b12-11+
InChIKeyIBXIZGXZHYTTID-VAWYXSNFSA-N
MW284.41 g/mol
LogP4.01
Rot. Bonds3

About (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine

(E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine (PubChem CID 139382764) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine
PubChem CID139382764
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name(E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine
SMILESC=NN(C)/C=C(\C)c1cc2cc(C)n(C(C)(C)C)c2cn1
InChIInChI=1S/C17H24N4/c1-12(11-20(7)18-6)15-9-14-8-13(2)21(17(3,4)5)16(14)10-19-15/h8-11H,6H2,1-5,7H3/b12-11+
InChIKeyIBXIZGXZHYTTID-VAWYXSNFSA-N
XLogP4.01
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine (CID 139382764) is (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine is C=NN(C)/C=C(\C)c1cc2cc(C)n(C(C)(C)C)c2cn1.
What is the InChIKey of (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine?
The InChIKey is IBXIZGXZHYTTID-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(11-20(7)18-6)15-9-14-8-13(2)21(17(3,4)5)16(14)10-19-15/h8-11H,6H2,1-5,7H3/b12-11+.
What are the key properties of (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine?
(E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine has a molecular weight of 284.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-tert-butyl-2-methylpyrrolo[2,3-c]pyridin-5-yl)-N-methyl-N-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 139382764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).